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

C24H26N4O2 — CID 30318253

IUPAC4-(2-methoxyanilino)-7,7-dimethyl-2-(4-methylanilino)-6,8-dihydroquinazolin-5-one
SMILESCOc1ccccc1Nc1nc(Nc2ccc(C)cc2)nc2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C24H26N4O2/c1-15-9-11-16(12-10-15)25-23-27-18-13-24(2,3)14-19(29)21(18)22(28-23)26-17-7-5-6-8-20(17)30-4/h5-12H,13-14H2,1-4H3,(H2,25,26,27,28)
InChIKeyKWWASRLHMGVXRC-UHFFFAOYSA-N
MW402.50 g/mol
LogP5.44
Rot. Bonds5

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

4-(2-methoxyanilino)-7,7-dimethyl-2-(4-methylanilino)-6,8-dihydroquinazolin-5-one (PubChem CID 30318253) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 4-(2-methoxyanilino)-7,7-dimethyl-2-(4-methylanilino)-6,8-dihydroquinazolin-5-one.

Molecular Properties

Compound Name4-(2-methoxyanilino)-7,7-dimethyl-2-(4-methylanilino)-6,8-dihydroquinazolin-5-one
PubChem CID30318253
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name4-(2-methoxyanilino)-7,7-dimethyl-2-(4-methylanilino)-6,8-dihydroquinazolin-5-one
SMILESCOc1ccccc1Nc1nc(Nc2ccc(C)cc2)nc2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C24H26N4O2/c1-15-9-11-16(12-10-15)25-23-27-18-13-24(2,3)14-19(29)21(18)22(28-23)26-17-7-5-6-8-20(17)30-4/h5-12H,13-14H2,1-4H3,(H2,25,26,27,28)
InChIKeyKWWASRLHMGVXRC-UHFFFAOYSA-N
XLogP5.44
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.50
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2,4-dimethylanilino)-2-(2-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 30321428
4-(3,4-dichloroanilino)-2-(2-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 30321439
2,4-bis(4-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 17198365
2-anilino-4-(4-fluoroanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 30317882
4-(4-ethylanilino)-2-(4-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 30319621
2-(4-chloroanilino)-4-(2,3-dimethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 30318632
2-anilino-4-(4-chloroanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 30317879
2-anilino-4,7,7-trimethyl-6,8-dihydroquinazolin-5-one
CID 16583938
2-(4-chloroanilino)-4-(4-fluoroanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 30318576
2-anilino-4-(3,4-dichloroanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 30317939
4-(3,4-dichloroanilino)-2-(3,4-dimethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 30321787
(7R)-7-(2-methoxyphenyl)-4-methyl-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 28629818

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyanilino)-7,7-dimethyl-2-(4-methylanilino)-6,8-dihydroquinazolin-5-one?
The IUPAC name of 4-(2-methoxyanilino)-7,7-dimethyl-2-(4-methylanilino)-6,8-dihydroquinazolin-5-one (CID 30318253) is 4-(2-methoxyanilino)-7,7-dimethyl-2-(4-methylanilino)-6,8-dihydroquinazolin-5-one.
What is the SMILES notation for 4-(2-methoxyanilino)-7,7-dimethyl-2-(4-methylanilino)-6,8-dihydroquinazolin-5-one?
The canonical SMILES for 4-(2-methoxyanilino)-7,7-dimethyl-2-(4-methylanilino)-6,8-dihydroquinazolin-5-one is COc1ccccc1Nc1nc(Nc2ccc(C)cc2)nc2c1C(=O)CC(C)(C)C2.
What is the InChIKey of 4-(2-methoxyanilino)-7,7-dimethyl-2-(4-methylanilino)-6,8-dihydroquinazolin-5-one?
The InChIKey is KWWASRLHMGVXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-15-9-11-16(12-10-15)25-23-27-18-13-24(2,3)14-19(29)21(18)22(28-23)26-17-7-5-6-8-20(17)30-4/h5-12H,13-14H2,1-4H3,(H2,25,26,27,28).
What are the key properties of 4-(2-methoxyanilino)-7,7-dimethyl-2-(4-methylanilino)-6,8-dihydroquinazolin-5-one?
4-(2-methoxyanilino)-7,7-dimethyl-2-(4-methylanilino)-6,8-dihydroquinazolin-5-one has a molecular weight of 402.50 g/mol, XLogP of 5.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyanilino)-7,7-dimethyl-2-(4-methylanilino)-6,8-dihydroquinazolin-5-one is sourced from PubChem (CID 30318253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).