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

C23H24N4O2 — CID 43903150

IUPAC4-(3-methoxyanilino)-7-methyl-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
SMILESCOc1cccc(Nc2nc(Nc3cccc(C)c3)nc3c2C(=O)CC(C)C3)c1
InChIInChI=1S/C23H24N4O2/c1-14-6-4-7-16(10-14)25-23-26-19-11-15(2)12-20(28)21(19)22(27-23)24-17-8-5-9-18(13-17)29-3/h4-10,13,15H,11-12H2,1-3H3,(H2,24,25,26,27)
InChIKeyZYQOTFHXLNYIHF-UHFFFAOYSA-N
MW388.47 g/mol
LogP5.05
Rot. Bonds5

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

4-(3-methoxyanilino)-7-methyl-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 43903150) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 4-(3-methoxyanilino)-7-methyl-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name4-(3-methoxyanilino)-7-methyl-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID43903150
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name4-(3-methoxyanilino)-7-methyl-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
SMILESCOc1cccc(Nc2nc(Nc3cccc(C)c3)nc3c2C(=O)CC(C)C3)c1
InChIInChI=1S/C23H24N4O2/c1-14-6-4-7-16(10-14)25-23-26-19-11-15(2)12-20(28)21(19)22(27-23)24-17-8-5-9-18(13-17)29-3/h4-10,13,15H,11-12H2,1-3H3,(H2,24,25,26,27)
InChIKeyZYQOTFHXLNYIHF-UHFFFAOYSA-N
XLogP5.05
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-methyl-4-(3-methylanilino)-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 43903010
4-(3,4-dichloroanilino)-2-(3-methoxyanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 43903207
4,7-dimethyl-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 3159873
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-anilino-2-(4-methoxyanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 43903095
4-(3,5-dimethylanilino)-2-(4-ethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 43903093
2-anilino-4-(3-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 30317656
2-anilino-4-(4-chloroanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 43902982
(6S)-1-(4-methoxyphenyl)-6-methyl-3-(3-methylanilino)-6,7-dihydro-5H-indazol-4-one
CID 29157338
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

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyanilino)-7-methyl-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 4-(3-methoxyanilino)-7-methyl-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one (CID 43903150) is 4-(3-methoxyanilino)-7-methyl-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 4-(3-methoxyanilino)-7-methyl-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 4-(3-methoxyanilino)-7-methyl-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one is COc1cccc(Nc2nc(Nc3cccc(C)c3)nc3c2C(=O)CC(C)C3)c1.
What is the InChIKey of 4-(3-methoxyanilino)-7-methyl-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is ZYQOTFHXLNYIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-14-6-4-7-16(10-14)25-23-26-19-11-15(2)12-20(28)21(19)22(27-23)24-17-8-5-9-18(13-17)29-3/h4-10,13,15H,11-12H2,1-3H3,(H2,24,25,26,27).
What are the key properties of 4-(3-methoxyanilino)-7-methyl-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one?
4-(3-methoxyanilino)-7-methyl-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 388.47 g/mol, XLogP of 5.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyanilino)-7-methyl-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 43903150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).