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

C25H28N4O2 — CID 30319621

IUPAC4-(4-ethylanilino)-2-(4-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
SMILESCCc1ccc(Nc2nc(Nc3ccc(OC)cc3)nc3c2C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C25H28N4O2/c1-5-16-6-8-17(9-7-16)26-23-22-20(14-25(2,3)15-21(22)30)28-24(29-23)27-18-10-12-19(31-4)13-11-18/h6-13H,5,14-15H2,1-4H3,(H2,26,27,28,29)
InChIKeyOLVTXQWUYVWBIR-UHFFFAOYSA-N
MW416.53 g/mol
LogP5.69
Rot. Bonds6

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

4-(4-ethylanilino)-2-(4-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one (PubChem CID 30319621) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 4-(4-ethylanilino)-2-(4-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one.

Molecular Properties

Compound Name4-(4-ethylanilino)-2-(4-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
PubChem CID30319621
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name4-(4-ethylanilino)-2-(4-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
SMILESCCc1ccc(Nc2nc(Nc3ccc(OC)cc3)nc3c2C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C25H28N4O2/c1-5-16-6-8-17(9-7-16)26-23-22-20(14-25(2,3)15-21(22)30)28-24(29-23)27-18-10-12-19(31-4)13-11-18/h6-13H,5,14-15H2,1-4H3,(H2,26,27,28,29)
InChIKeyOLVTXQWUYVWBIR-UHFFFAOYSA-N
XLogP5.69
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.53
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

2,4-bis(4-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 17198365
3-(4-ethylanilino)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydroindazol-4-one
CID 17035520
2-anilino-4-(4-fluoroanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 30317882
2-anilino-4-(4-chloroanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 30317879
4-(2-methoxyanilino)-7,7-dimethyl-2-(4-methylanilino)-6,8-dihydroquinazolin-5-one
CID 30318253
2,4-bis(4-ethylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 30319027
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-anilino-7,7-dimethyl-2-(2-phenylethylamino)-6,8-dihydroquinazolin-5-one
CID 30317104
4-(4-chloroanilino)-7,7-dimethyl-2-(3-methylanilino)-6,8-dihydroquinazolin-5-one
CID 30320311
4-(3,4-dichloroanilino)-2-(2-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 30321439
2-anilino-4,7,7-trimethyl-6,8-dihydroquinazolin-5-one
CID 16583938

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylanilino)-2-(4-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The IUPAC name of 4-(4-ethylanilino)-2-(4-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one (CID 30319621) is 4-(4-ethylanilino)-2-(4-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one.
What is the SMILES notation for 4-(4-ethylanilino)-2-(4-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The canonical SMILES for 4-(4-ethylanilino)-2-(4-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one is CCc1ccc(Nc2nc(Nc3ccc(OC)cc3)nc3c2C(=O)CC(C)(C)C3)cc1.
What is the InChIKey of 4-(4-ethylanilino)-2-(4-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The InChIKey is OLVTXQWUYVWBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-5-16-6-8-17(9-7-16)26-23-22-20(14-25(2,3)15-21(22)30)28-24(29-23)27-18-10-12-19(31-4)13-11-18/h6-13H,5,14-15H2,1-4H3,(H2,26,27,28,29).
What are the key properties of 4-(4-ethylanilino)-2-(4-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
4-(4-ethylanilino)-2-(4-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one has a molecular weight of 416.53 g/mol, XLogP of 5.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylanilino)-2-(4-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one is sourced from PubChem (CID 30319621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).