4-anilino-2-(4-methoxyanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one

C22H22N4O2 — CID 43903095

IUPAC4-anilino-2-(4-methoxyanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCOc1ccc(Nc2nc3c(c(Nc4ccccc4)n2)C(=O)CC(C)C3)cc1
InChIInChI=1S/C22H22N4O2/c1-14-12-18-20(19(27)13-14)21(23-15-6-4-3-5-7-15)26-22(25-18)24-16-8-10-17(28-2)11-9-16/h3-11,14H,12-13H2,1-2H3,(H2,23,24,25,26)
InChIKeyHHQVXYLALAHARG-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.74
Rot. Bonds5

About 4-anilino-2-(4-methoxyanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one

4-anilino-2-(4-methoxyanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 43903095) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 4-anilino-2-(4-methoxyanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name4-anilino-2-(4-methoxyanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID43903095
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name4-anilino-2-(4-methoxyanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCOc1ccc(Nc2nc3c(c(Nc4ccccc4)n2)C(=O)CC(C)C3)cc1
InChIInChI=1S/C22H22N4O2/c1-14-12-18-20(19(27)13-14)21(23-15-6-4-3-5-7-15)26-22(25-18)24-16-8-10-17(28-2)11-9-16/h3-11,14H,12-13H2,1-2H3,(H2,23,24,25,26)
InChIKeyHHQVXYLALAHARG-UHFFFAOYSA-N
XLogP4.74
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-anilino-2-(4-methoxyanilino)-7-methyl-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

2-anilino-4-(4-chloroanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 43902982
4-(3,4-dichloroanilino)-2-(3-methoxyanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 43903207
4-(3-methoxyanilino)-7-methyl-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 43903150
7-methyl-4-(3-methylanilino)-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 43903010
2-(4-chloroanilino)-4-(3,5-dimethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 43903047
2,4-bis(4-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 17198365
4-(4-ethylanilino)-7-methyl-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 43903147
2-(4-ethylanilino)-7-methyl-4-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 43903079
4-(2-ethylanilino)-2-(4-ethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 43903084
4-(3,5-dimethylanilino)-2-(4-ethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 43903093
4-(4-chloroanilino)-2-(3,4-dimethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 43903235
4,7-dimethyl-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 16584112

Frequently Asked Questions

What is the IUPAC name of 4-anilino-2-(4-methoxyanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 4-anilino-2-(4-methoxyanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one (CID 43903095) is 4-anilino-2-(4-methoxyanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 4-anilino-2-(4-methoxyanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 4-anilino-2-(4-methoxyanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one is COc1ccc(Nc2nc3c(c(Nc4ccccc4)n2)C(=O)CC(C)C3)cc1.
What is the InChIKey of 4-anilino-2-(4-methoxyanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is HHQVXYLALAHARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-14-12-18-20(19(27)13-14)21(23-15-6-4-3-5-7-15)26-22(25-18)24-16-8-10-17(28-2)11-9-16/h3-11,14H,12-13H2,1-2H3,(H2,23,24,25,26).
What are the key properties of 4-anilino-2-(4-methoxyanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one?
4-anilino-2-(4-methoxyanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 374.44 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-2-(4-methoxyanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 43903095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).