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

C25H28N4O2 — CID 30321428

IUPAC4-(2,4-dimethylanilino)-2-(2-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
SMILESCOc1ccccc1Nc1nc2c(c(Nc3ccc(C)cc3C)n1)C(=O)CC(C)(C)C2
InChIInChI=1S/C25H28N4O2/c1-15-10-11-17(16(2)12-15)26-23-22-19(13-25(3,4)14-20(22)30)28-24(29-23)27-18-8-6-7-9-21(18)31-5/h6-12H,13-14H2,1-5H3,(H2,26,27,28,29)
InChIKeyIUWGIEOMSPITHL-UHFFFAOYSA-N
MW416.53 g/mol
LogP5.74
Rot. Bonds5

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

4-(2,4-dimethylanilino)-2-(2-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one (PubChem CID 30321428) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 4-(2,4-dimethylanilino)-2-(2-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one.

Molecular Properties

Compound Name4-(2,4-dimethylanilino)-2-(2-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
PubChem CID30321428
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name4-(2,4-dimethylanilino)-2-(2-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
SMILESCOc1ccccc1Nc1nc2c(c(Nc3ccc(C)cc3C)n1)C(=O)CC(C)(C)C2
InChIInChI=1S/C25H28N4O2/c1-15-10-11-17(16(2)12-15)26-23-22-19(13-25(3,4)14-20(22)30)28-24(29-23)27-18-8-6-7-9-21(18)31-5/h6-12H,13-14H2,1-5H3,(H2,26,27,28,29)
InChIKeyIUWGIEOMSPITHL-UHFFFAOYSA-N
XLogP5.74
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.53
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(2,4-dimethylanilino)-2-(2-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one with MolForge

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Related Compounds

4-(2-methoxyanilino)-7,7-dimethyl-2-(4-methylanilino)-6,8-dihydroquinazolin-5-one
CID 30318253
4-(3,4-dichloroanilino)-2-(2-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 30321439
2-(4-chloroanilino)-4-(2,3-dimethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 30318632
4-N-(2,4-dimethylphenyl)-2-N-(2-methylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidine-2,4-diamine
CID 57046869
4-(3,4-dichloroanilino)-2-(3,4-dimethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 30321787
4-(2,4-dimethylanilino)-2-(3,4-dimethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 43903250
2-N,4-N-bis(2-methoxyphenyl)-6-methyl-5-nitropyrimidine-2,4-diamine
CID 2852163
2-anilino-4-(4-chloroanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 30317879
4-amino-2-(2,3-dimethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 66507645
2-anilino-4-(3,4-dichloroanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 30317939
2-(4-chloroanilino)-4-(4-fluoroanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 30318576
3-(2-methoxyanilino)-5,5-dimethylcyclohex-2-en-1-one
CID 749378

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylanilino)-2-(2-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The IUPAC name of 4-(2,4-dimethylanilino)-2-(2-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one (CID 30321428) is 4-(2,4-dimethylanilino)-2-(2-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one.
What is the SMILES notation for 4-(2,4-dimethylanilino)-2-(2-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The canonical SMILES for 4-(2,4-dimethylanilino)-2-(2-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one is COc1ccccc1Nc1nc2c(c(Nc3ccc(C)cc3C)n1)C(=O)CC(C)(C)C2.
What is the InChIKey of 4-(2,4-dimethylanilino)-2-(2-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The InChIKey is IUWGIEOMSPITHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-15-10-11-17(16(2)12-15)26-23-22-19(13-25(3,4)14-20(22)30)28-24(29-23)27-18-8-6-7-9-21(18)31-5/h6-12H,13-14H2,1-5H3,(H2,26,27,28,29).
What are the key properties of 4-(2,4-dimethylanilino)-2-(2-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
4-(2,4-dimethylanilino)-2-(2-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one has a molecular weight of 416.53 g/mol, XLogP of 5.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylanilino)-2-(2-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one is sourced from PubChem (CID 30321428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).