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

C25H28N4O — CID 43903248

IUPAC4-(2,3-dimethylanilino)-2-(3,4-dimethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1ccc(Nc2nc3c(c(Nc4cccc(C)c4C)n2)C(=O)CC(C)C3)cc1C
InChIInChI=1S/C25H28N4O/c1-14-11-21-23(22(30)12-14)24(27-20-8-6-7-16(3)18(20)5)29-25(28-21)26-19-10-9-15(2)17(4)13-19/h6-10,13-14H,11-12H2,1-5H3,(H2,26,27,28,29)
InChIKeyFTIRUPVNOKKXRP-UHFFFAOYSA-N
MW400.53 g/mol
LogP5.96
Rot. Bonds4

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

4-(2,3-dimethylanilino)-2-(3,4-dimethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 43903248) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is 4-(2,3-dimethylanilino)-2-(3,4-dimethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name4-(2,3-dimethylanilino)-2-(3,4-dimethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID43903248
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC Name4-(2,3-dimethylanilino)-2-(3,4-dimethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1ccc(Nc2nc3c(c(Nc4cccc(C)c4C)n2)C(=O)CC(C)C3)cc1C
InChIInChI=1S/C25H28N4O/c1-14-11-21-23(22(30)12-14)24(27-20-8-6-7-16(3)18(20)5)29-25(28-21)26-19-10-9-15(2)17(4)13-19/h6-10,13-14H,11-12H2,1-5H3,(H2,26,27,28,29)
InChIKeyFTIRUPVNOKKXRP-UHFFFAOYSA-N
XLogP5.96
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.53
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(2,3-dimethylanilino)-2-(3,4-dimethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one with MolForge

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Related Compounds

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
7-methyl-4-(3-methylanilino)-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 43903010
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
4,7-dimethyl-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 3159873
4-(3-methoxyanilino)-7-methyl-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 43903150
4-(2-ethylanilino)-2-(4-ethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 43903084
2-(4-chloroanilino)-4-(3,5-dimethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 43903047
4-(3,4-dichloroanilino)-2-(3-methoxyanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 43903207
2-anilino-4-(4-chloroanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 43902982
2-(4-chloroanilino)-4-(2,3-dimethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 30318632

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylanilino)-2-(3,4-dimethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 4-(2,3-dimethylanilino)-2-(3,4-dimethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one (CID 43903248) is 4-(2,3-dimethylanilino)-2-(3,4-dimethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 4-(2,3-dimethylanilino)-2-(3,4-dimethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 4-(2,3-dimethylanilino)-2-(3,4-dimethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one is Cc1ccc(Nc2nc3c(c(Nc4cccc(C)c4C)n2)C(=O)CC(C)C3)cc1C.
What is the InChIKey of 4-(2,3-dimethylanilino)-2-(3,4-dimethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is FTIRUPVNOKKXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c1-14-11-21-23(22(30)12-14)24(27-20-8-6-7-16(3)18(20)5)29-25(28-21)26-19-10-9-15(2)17(4)13-19/h6-10,13-14H,11-12H2,1-5H3,(H2,26,27,28,29).
What are the key properties of 4-(2,3-dimethylanilino)-2-(3,4-dimethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one?
4-(2,3-dimethylanilino)-2-(3,4-dimethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 400.53 g/mol, XLogP of 5.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylanilino)-2-(3,4-dimethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 43903248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).