TL;DR: N-{3-[ethyl(3-methylphenyl)amino]propyl}-3-{3-oxo-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-2-yl}propanamide (CAS 1044283-96-6) is a chemical compound with molecular formula C25H29N5O2S and molecular weight 463.2042 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[3-(N-ethyl-3-methylanilino)propyl]-3-(3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl)propanamide
Also Known As: N-{3-[ethyl(3-methylphenyl)amino]propyl}-3-{3-oxo-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-2-yl}propanamide, BRD-A29435770-001-01-8, F6548-3606, N-[3-(N-ethyl-3-methylanilino)propyl]-3-(3-oxo-5-sulfanylidene-2,6-dihydroimidazo[1,2-c]quinazolin-2-yl)propanamide
| Molecular Formula | C25H29N5O2S |
| Molecular Weight | 463.2042 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 463.2042 Da |
| Heavy Atoms | 33 |
| Complexity | 922.0 |
| SMILES | CCN(CCCNC(=O)CCC1C(=O)N2C(=C3C=CC=CC3=NC2=S)N1)C4=CC=CC(=C4)C |
| InChIKey | BXMGGLGERTUMAH-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that N-{3-[ethyl(3-methylphenyl)amino]propyl}-3-{3-oxo-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-2-yl}propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{3-[ethyl(3-methylphenyl)amino]propyl}-3-{3-oxo-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-2-yl}propanamide. Following Lipinski's Rule of Five, N-{3-[ethyl(3-methylphenyl)amino]propyl}-3-{3-oxo-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-2-yl}propanamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-{3-[ethyl(3-methylphenyl)amino]propyl}-3-{3-oxo-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-2-yl}propanamide is 1044283-96-6.
The molecular formula of N-{3-[ethyl(3-methylphenyl)amino]propyl}-3-{3-oxo-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-2-yl}propanamide is C25H29N5O2S.
The molecular weight of N-{3-[ethyl(3-methylphenyl)amino]propyl}-3-{3-oxo-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-2-yl}propanamide is 463.2042 g/mol.
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