2-(4-chloroanilino)-4-(2,3-dimethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one

C24H25ClN4O — CID 30318632

IUPAC2-(4-chloroanilino)-4-(2,3-dimethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
SMILESCc1cccc(Nc2nc(Nc3ccc(Cl)cc3)nc3c2C(=O)CC(C)(C)C3)c1C
InChIInChI=1S/C24H25ClN4O/c1-14-6-5-7-18(15(14)2)27-22-21-19(12-24(3,4)13-20(21)30)28-23(29-22)26-17-10-8-16(25)9-11-17/h5-11H,12-13H2,1-4H3,(H2,26,27,28,29)
InChIKeyJPOXVLAPXWUVTJ-UHFFFAOYSA-N
MW420.94 g/mol
LogP6.39
Rot. Bonds4

About 2-(4-chloroanilino)-4-(2,3-dimethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one

2-(4-chloroanilino)-4-(2,3-dimethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one (PubChem CID 30318632) has the molecular formula C24H25ClN4O and a molecular weight of 420.94 g/mol. Its IUPAC name is 2-(4-chloroanilino)-4-(2,3-dimethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one.

Molecular Properties

Compound Name2-(4-chloroanilino)-4-(2,3-dimethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
PubChem CID30318632
Molecular FormulaC24H25ClN4O
Molecular Weight420.94 g/mol
Exact Mass420.17
IUPAC Name2-(4-chloroanilino)-4-(2,3-dimethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
SMILESCc1cccc(Nc2nc(Nc3ccc(Cl)cc3)nc3c2C(=O)CC(C)(C)C3)c1C
InChIInChI=1S/C24H25ClN4O/c1-14-6-5-7-18(15(14)2)27-22-21-19(12-24(3,4)13-20(21)30)28-23(29-22)26-17-10-8-16(25)9-11-17/h5-11H,12-13H2,1-4H3,(H2,26,27,28,29)
InChIKeyJPOXVLAPXWUVTJ-UHFFFAOYSA-N
XLogP6.39
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.94
LogP ≤ 56.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-chloroanilino)-4-(2,3-dimethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-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

2-anilino-4-(4-chloroanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 30317879
4-(4-chloroanilino)-7,7-dimethyl-2-(3-methylanilino)-6,8-dihydroquinazolin-5-one
CID 30320311
2-(4-chloroanilino)-4-(4-fluoroanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 30318576
4-amino-2-(2,3-dimethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 66507645
4-(2-methoxyanilino)-7,7-dimethyl-2-(4-methylanilino)-6,8-dihydroquinazolin-5-one
CID 30318253
4-(3,4-dichloroanilino)-2-(3,4-dimethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 30321787
2-anilino-4-(3,4-dichloroanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 30317939
2-anilino-4-(4-fluoroanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 30317882
2-anilino-4,7,7-trimethyl-6,8-dihydroquinazolin-5-one
CID 16583938
4-(2,3-dimethylanilino)-2-(3,4-dimethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 43903248
4-(4-ethylanilino)-2-(4-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 30319621
4-(3,4-dichloroanilino)-2-(2-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 30321439

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-4-(2,3-dimethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The IUPAC name of 2-(4-chloroanilino)-4-(2,3-dimethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one (CID 30318632) is 2-(4-chloroanilino)-4-(2,3-dimethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one.
What is the SMILES notation for 2-(4-chloroanilino)-4-(2,3-dimethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The canonical SMILES for 2-(4-chloroanilino)-4-(2,3-dimethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one is Cc1cccc(Nc2nc(Nc3ccc(Cl)cc3)nc3c2C(=O)CC(C)(C)C3)c1C.
What is the InChIKey of 2-(4-chloroanilino)-4-(2,3-dimethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The InChIKey is JPOXVLAPXWUVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O/c1-14-6-5-7-18(15(14)2)27-22-21-19(12-24(3,4)13-20(21)30)28-23(29-22)26-17-10-8-16(25)9-11-17/h5-11H,12-13H2,1-4H3,(H2,26,27,28,29).
What are the key properties of 2-(4-chloroanilino)-4-(2,3-dimethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
2-(4-chloroanilino)-4-(2,3-dimethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one has a molecular weight of 420.94 g/mol, XLogP of 6.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-4-(2,3-dimethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one is sourced from PubChem (CID 30318632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).