TL;DR: (Z)-3-(3,4-dimethoxybenzylidene)-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one (CAS 1431320-45-4) is a chemical compound with molecular formula C20H18N2O3 and molecular weight 334.13174 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one
Also Known As: (Z)-3-(3,4-dimethoxybenzylidene)-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one, (3Z)-3-(3,4-dimethoxybenzylidene)-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one, (3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one, 3-(3,4-dimethoxybenzylidene)-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one
| Molecular Formula | C20H18N2O3 |
| Molecular Weight | 334.13174 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 51.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 334.13174 Da |
| Heavy Atoms | 25 |
| Complexity | 585.0 |
| SMILES | COC1=C(C=C(C=C1)/C=C\2/CCN3C2=NC4=CC=CC=C4C3=O)OC |
| InChIKey | YCBUZDBGGVGQAY-KAMYIIQDSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-3-(3,4-dimethoxybenzylidene)-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one. With a topological polar surface area (TPSA) of 51.1 Ų, (Z)-3-(3,4-dimethoxybenzylidene)-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-3-(3,4-dimethoxybenzylidene)-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one has 0 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 (Z)-3-(3,4-dimethoxybenzylidene)-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one is 1431320-45-4.
The molecular formula of (Z)-3-(3,4-dimethoxybenzylidene)-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one is C20H18N2O3.
The molecular weight of (Z)-3-(3,4-dimethoxybenzylidene)-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one is 334.13174 g/mol.
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