(2S)-2-(3,4-dimethoxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one

C18H20N2O3 — CID 7386974

IUPAC(2S)-2-(3,4-dimethoxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one
SMILESCOc1ccc([C@@H]2N(C)C(=O)c3ccccc3N2C)cc1OC
InChIInChI=1S/C18H20N2O3/c1-19-14-8-6-5-7-13(14)18(21)20(2)17(19)12-9-10-15(22-3)16(11-12)23-4/h5-11,17H,1-4H3/t17-/m0/s1
InChIKeyZJUOQBHVNMIICY-KRWDZBQOSA-N
MW312.37 g/mol
LogP2.92
Rot. Bonds3

About (2S)-2-(3,4-dimethoxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one

(2S)-2-(3,4-dimethoxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one (PubChem CID 7386974) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is (2S)-2-(3,4-dimethoxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one.

Molecular Properties

Compound Name(2S)-2-(3,4-dimethoxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one
PubChem CID7386974
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name(2S)-2-(3,4-dimethoxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one
SMILESCOc1ccc([C@@H]2N(C)C(=O)c3ccccc3N2C)cc1OC
InChIInChI=1S/C18H20N2O3/c1-19-14-8-6-5-7-13(14)18(21)20(2)17(19)12-9-10-15(22-3)16(11-12)23-4/h5-11,17H,1-4H3/t17-/m0/s1
InChIKeyZJUOQBHVNMIICY-KRWDZBQOSA-N
XLogP2.92
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-hydroxy-3-methoxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one
CID 1109453
2-(4-fluorophenyl)-1,3-dimethyl-2H-quinazolin-4-one
CID 3121410
(2S)-2-(4-hydroxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one
CID 7106412
2-[2-[3-(difluoromethoxy)-4-methoxyphenyl]-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide
CID 55599170
5-(1,3-dimethyl-2H-benzimidazol-2-yl)-2-methoxyphenol
CID 914373
(2S)-2-(3-methoxy-4-prop-2-enoxyphenyl)-1-methyl-2,3-dihydroquinazolin-4-one
CID 40790488
(2S)-2-(3-fluoro-4-methoxyphenyl)-1-methyl-2,3-dihydroquinazolin-4-one
CID 40809665
2-[2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide
CID 55598140
(2S)-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-1-methyl-2H-quinazolin-4-one
CID 25343997
2-[(2S)-2-(2-methoxy-5-methylphenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide
CID 94065470
2-(3,4-dimethoxyphenyl)-3-oxido-1,2-dihydroquinazolin-4-one
CID 3415932
methyl 3-[[(3S,4S)-3-(3,4-dimethoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carbonyl]amino]propanoate
CID 97265764

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,4-dimethoxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one?
The IUPAC name of (2S)-2-(3,4-dimethoxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one (CID 7386974) is (2S)-2-(3,4-dimethoxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one.
What is the SMILES notation for (2S)-2-(3,4-dimethoxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one?
The canonical SMILES for (2S)-2-(3,4-dimethoxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one is COc1ccc([C@@H]2N(C)C(=O)c3ccccc3N2C)cc1OC.
What is the InChIKey of (2S)-2-(3,4-dimethoxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one?
The InChIKey is ZJUOQBHVNMIICY-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-19-14-8-6-5-7-13(14)18(21)20(2)17(19)12-9-10-15(22-3)16(11-12)23-4/h5-11,17H,1-4H3/t17-/m0/s1.
What are the key properties of (2S)-2-(3,4-dimethoxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one?
(2S)-2-(3,4-dimethoxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one has a molecular weight of 312.37 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,4-dimethoxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one is sourced from PubChem (CID 7386974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).