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

C23H24N4O — CID 43903010

IUPAC7-methyl-4-(3-methylanilino)-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1ccc(Nc2nc3c(c(Nc4cccc(C)c4)n2)C(=O)CC(C)C3)cc1
InChIInChI=1S/C23H24N4O/c1-14-7-9-17(10-8-14)25-23-26-19-12-16(3)13-20(28)21(19)22(27-23)24-18-6-4-5-15(2)11-18/h4-11,16H,12-13H2,1-3H3,(H2,24,25,26,27)
InChIKeyCYKNFECYLCQDFS-UHFFFAOYSA-N
MW372.47 g/mol
LogP5.35
Rot. Bonds4

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

7-methyl-4-(3-methylanilino)-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 43903010) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 7-methyl-4-(3-methylanilino)-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name7-methyl-4-(3-methylanilino)-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID43903010
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name7-methyl-4-(3-methylanilino)-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1ccc(Nc2nc3c(c(Nc4cccc(C)c4)n2)C(=O)CC(C)C3)cc1
InChIInChI=1S/C23H24N4O/c1-14-7-9-17(10-8-14)25-23-26-19-12-16(3)13-20(28)21(19)22(27-23)24-18-6-4-5-15(2)11-18/h4-11,16H,12-13H2,1-3H3,(H2,24,25,26,27)
InChIKeyCYKNFECYLCQDFS-UHFFFAOYSA-N
XLogP5.35
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-(3-methoxyanilino)-7-methyl-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 43903150
4,7-dimethyl-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 3159873
2-(4-chloroanilino)-4-(3,5-dimethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 43903047
4,7-dimethyl-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 16584112
4-(3,5-dimethylanilino)-2-(4-ethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 43903093
2-anilino-4-(4-chloroanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 43902982
4-anilino-2-(4-methoxyanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 43903095
4-(2,4-dimethylanilino)-2-(3,4-dimethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 43903250
4-(4-chloroanilino)-2-(3,4-dimethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 43903235
4-(3,4-dichloroanilino)-2-(3-methoxyanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 43903207

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-(3-methylanilino)-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 7-methyl-4-(3-methylanilino)-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one (CID 43903010) is 7-methyl-4-(3-methylanilino)-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 7-methyl-4-(3-methylanilino)-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 7-methyl-4-(3-methylanilino)-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one is Cc1ccc(Nc2nc3c(c(Nc4cccc(C)c4)n2)C(=O)CC(C)C3)cc1.
What is the InChIKey of 7-methyl-4-(3-methylanilino)-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is CYKNFECYLCQDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-14-7-9-17(10-8-14)25-23-26-19-12-16(3)13-20(28)21(19)22(27-23)24-18-6-4-5-15(2)11-18/h4-11,16H,12-13H2,1-3H3,(H2,24,25,26,27).
What are the key properties of 7-methyl-4-(3-methylanilino)-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one?
7-methyl-4-(3-methylanilino)-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 372.47 g/mol, XLogP of 5.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-(3-methylanilino)-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 43903010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).