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

C25H28N4O — CID 43903250

IUPAC4-(2,4-dimethylanilino)-2-(3,4-dimethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1ccc(Nc2nc(Nc3ccc(C)c(C)c3)nc3c2C(=O)CC(C)C3)c(C)c1
InChIInChI=1S/C25H28N4O/c1-14-6-9-20(18(5)10-14)27-24-23-21(11-15(2)12-22(23)30)28-25(29-24)26-19-8-7-16(3)17(4)13-19/h6-10,13,15H,11-12H2,1-5H3,(H2,26,27,28,29)
InChIKeyWKKSPLRDKGYCMH-UHFFFAOYSA-N
MW400.53 g/mol
LogP5.96
Rot. Bonds4

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

4-(2,4-dimethylanilino)-2-(3,4-dimethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 43903250) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is 4-(2,4-dimethylanilino)-2-(3,4-dimethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name4-(2,4-dimethylanilino)-2-(3,4-dimethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID43903250
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC Name4-(2,4-dimethylanilino)-2-(3,4-dimethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1ccc(Nc2nc(Nc3ccc(C)c(C)c3)nc3c2C(=O)CC(C)C3)c(C)c1
InChIInChI=1S/C25H28N4O/c1-14-6-9-20(18(5)10-14)27-24-23-21(11-15(2)12-22(23)30)28-25(29-24)26-19-8-7-16(3)17(4)13-19/h6-10,13,15H,11-12H2,1-5H3,(H2,26,27,28,29)
InChIKeyWKKSPLRDKGYCMH-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-(2,4-dimethylanilino)-2-(3,4-dimethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one with MolForge

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Related Compounds

4-(2,3-dimethylanilino)-2-(3,4-dimethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 43903248
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
4,7-dimethyl-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 16584112
2-(4-chloroanilino)-4-(3,5-dimethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 43903047
2-(4-ethylanilino)-7-methyl-4-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 43903079
4-(4-ethylanilino)-7-methyl-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 43903147
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-(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-(3,4-dichloroanilino)-2-(4-ethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 43903092

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylanilino)-2-(3,4-dimethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 4-(2,4-dimethylanilino)-2-(3,4-dimethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one (CID 43903250) is 4-(2,4-dimethylanilino)-2-(3,4-dimethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 4-(2,4-dimethylanilino)-2-(3,4-dimethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 4-(2,4-dimethylanilino)-2-(3,4-dimethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one is Cc1ccc(Nc2nc(Nc3ccc(C)c(C)c3)nc3c2C(=O)CC(C)C3)c(C)c1.
What is the InChIKey of 4-(2,4-dimethylanilino)-2-(3,4-dimethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is WKKSPLRDKGYCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c1-14-6-9-20(18(5)10-14)27-24-23-21(11-15(2)12-22(23)30)28-25(29-24)26-19-8-7-16(3)17(4)13-19/h6-10,13,15H,11-12H2,1-5H3,(H2,26,27,28,29).
What are the key properties of 4-(2,4-dimethylanilino)-2-(3,4-dimethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one?
4-(2,4-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-(2,4-dimethylanilino)-2-(3,4-dimethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 43903250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).