(7S)-7-(3,4-dimethoxyphenyl)-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one

C23H23N3O3 — CID 41285739

IUPAC(7S)-7-(3,4-dimethoxyphenyl)-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
SMILESCOc1ccc([C@@H]2CC(=O)c3cnc(Nc4cccc(C)c4)nc3C2)cc1OC
InChIInChI=1S/C23H23N3O3/c1-14-5-4-6-17(9-14)25-23-24-13-18-19(26-23)10-16(11-20(18)27)15-7-8-21(28-2)22(12-15)29-3/h4-9,12-13,16H,10-11H2,1-3H3,(H,24,25,26)/t16-/m0/s1
InChIKeyYGCJRBSMWYWEOP-INIZCTEOSA-N
MW389.46 g/mol
LogP4.46
Rot. Bonds5

About (7S)-7-(3,4-dimethoxyphenyl)-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one

(7S)-7-(3,4-dimethoxyphenyl)-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 41285739) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is (7S)-7-(3,4-dimethoxyphenyl)-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name(7S)-7-(3,4-dimethoxyphenyl)-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID41285739
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name(7S)-7-(3,4-dimethoxyphenyl)-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
SMILESCOc1ccc([C@@H]2CC(=O)c3cnc(Nc4cccc(C)c4)nc3C2)cc1OC
InChIInChI=1S/C23H23N3O3/c1-14-5-4-6-17(9-14)25-23-24-13-18-19(26-23)10-16(11-20(18)27)15-7-8-21(28-2)22(12-15)29-3/h4-9,12-13,16H,10-11H2,1-3H3,(H,24,25,26)/t16-/m0/s1
InChIKeyYGCJRBSMWYWEOP-INIZCTEOSA-N
XLogP4.46
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (7S)-7-(3,4-dimethoxyphenyl)-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7R)-2-anilino-7-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 41386591
(7S)-7-(3,4-dimethoxyphenyl)-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 41386634
N-[(7R)-7-(3,4-dimethoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-3-methylbenzamide
CID 2021715
(7R)-7-(3,4-dimethoxyphenyl)-4-methyl-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 41285748
(7S)-7-(3,4-dimethoxyphenyl)-4-methyl-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 41285745
N-[7-(3,4-dimethoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide
CID 3834422
(7R)-2-(4-methoxyanilino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 1415093
7-(3-chlorophenyl)-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 17168355
(7R)-2-anilino-7-(2,4-dimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 28629810
(7S)-2-anilino-7-(3,4-dimethoxyphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 41299879
(7R)-7-(2,4-dimethoxyphenyl)-2-(4-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 28629638
(7S)-7-(4-fluorophenyl)-2-(2-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 41286955

Frequently Asked Questions

What is the IUPAC name of (7S)-7-(3,4-dimethoxyphenyl)-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of (7S)-7-(3,4-dimethoxyphenyl)-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one (CID 41285739) is (7S)-7-(3,4-dimethoxyphenyl)-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for (7S)-7-(3,4-dimethoxyphenyl)-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for (7S)-7-(3,4-dimethoxyphenyl)-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one is COc1ccc([C@@H]2CC(=O)c3cnc(Nc4cccc(C)c4)nc3C2)cc1OC.
What is the InChIKey of (7S)-7-(3,4-dimethoxyphenyl)-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is YGCJRBSMWYWEOP-INIZCTEOSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-14-5-4-6-17(9-14)25-23-24-13-18-19(26-23)10-16(11-20(18)27)15-7-8-21(28-2)22(12-15)29-3/h4-9,12-13,16H,10-11H2,1-3H3,(H,24,25,26)/t16-/m0/s1.
What are the key properties of (7S)-7-(3,4-dimethoxyphenyl)-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one?
(7S)-7-(3,4-dimethoxyphenyl)-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 389.46 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(3,4-dimethoxyphenyl)-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 41285739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).