TL;DR: 4H-Pyrido(2,3-b)(1,4)diazepin-4-one, 3,5-dihydro-5-(3-(dimethylamino)propyl)-2-methyl-, monohydrochloride (CAS 113524-25-7) is a chemical compound with molecular formula C14H21ClN4O and molecular weight 296.14038 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[3-(dimethylamino)propyl]-2-methyl-3H-pyrido[2,3-b][1,4]diazepin-4-one;hydrochloride
Also Known As: 4H-Pyrido(2,3-b)(1,4)diazepin-4-one, 3,5-dihydro-5-(3-(dimethylamino)propyl)-2-methyl-, monohydrochloride, 3,5-Dihydro-5-(3-(dimethylamino)propyl)-2-methyl-4H-pyrido(2,3-b)(1,4)diazepin-4-one HCl, 5-[3-(dimethylamino)propyl]-2-methyl-3H-pyrido[2,3-b][1,4]diazepin-4-one hydrochloride, 5-[3-(Dimethylamino)propyl]-2-methyl-3,5-dihydro-4H-pyrido[2,3-b][1,4]diazepin-4-one--hydrogen chloride (1/1)
| Molecular Formula | C14H21ClN4O |
| Molecular Weight | 296.14038 g/mol |
| XLogP | 2.2842 |
| Topological Polar Surface Area (TPSA) | 48.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.14038 Da |
| Heavy Atoms | 20 |
| Complexity | 353.0 |
| SMILES | CC1=NC2=C(N=CC=C2)N(C(=O)C1)CCCN(C)C.Cl |
| InChIKey | UCPRVSJMTYUPDI-UHFFFAOYSA-N |
The XLogP value of 2.2842 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-Pyrido(2,3-b)(1,4)diazepin-4-one, 3,5-dihydro-5-(3-(dimethylamino)propyl)-2-methyl-, monohydrochloride. With a topological polar surface area (TPSA) of 48.8 Ų, 4H-Pyrido(2,3-b)(1,4)diazepin-4-one, 3,5-dihydro-5-(3-(dimethylamino)propyl)-2-methyl-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-Pyrido(2,3-b)(1,4)diazepin-4-one, 3,5-dihydro-5-(3-(dimethylamino)propyl)-2-methyl-, monohydrochloride has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4H-Pyrido(2,3-b)(1,4)diazepin-4-one, 3,5-dihydro-5-(3-(dimethylamino)propyl)-2-methyl-, monohydrochloride is 113524-25-7.
The molecular formula of 4H-Pyrido(2,3-b)(1,4)diazepin-4-one, 3,5-dihydro-5-(3-(dimethylamino)propyl)-2-methyl-, monohydrochloride is C14H21ClN4O.
The molecular weight of 4H-Pyrido(2,3-b)(1,4)diazepin-4-one, 3,5-dihydro-5-(3-(dimethylamino)propyl)-2-methyl-, monohydrochloride is 296.14038 g/mol.
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