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

C24H26N4O — CID 43903079

IUPAC2-(4-ethylanilino)-7-methyl-4-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
SMILESCCc1ccc(Nc2nc3c(c(Nc4cccc(C)c4)n2)C(=O)CC(C)C3)cc1
InChIInChI=1S/C24H26N4O/c1-4-17-8-10-18(11-9-17)26-24-27-20-13-16(3)14-21(29)22(20)23(28-24)25-19-7-5-6-15(2)12-19/h5-12,16H,4,13-14H2,1-3H3,(H2,25,26,27,28)
InChIKeyQTCTXYFNYAHZLK-UHFFFAOYSA-N
MW386.50 g/mol
LogP5.60
Rot. Bonds5

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

2-(4-ethylanilino)-7-methyl-4-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 43903079) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-(4-ethylanilino)-7-methyl-4-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-(4-ethylanilino)-7-methyl-4-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID43903079
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name2-(4-ethylanilino)-7-methyl-4-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
SMILESCCc1ccc(Nc2nc3c(c(Nc4cccc(C)c4)n2)C(=O)CC(C)C3)cc1
InChIInChI=1S/C24H26N4O/c1-4-17-8-10-18(11-9-17)26-24-27-20-13-16(3)14-21(29)22(20)23(28-24)25-19-7-5-6-15(2)12-19/h5-12,16H,4,13-14H2,1-3H3,(H2,25,26,27,28)
InChIKeyQTCTXYFNYAHZLK-UHFFFAOYSA-N
XLogP5.60
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-ethylanilino)-7-methyl-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 43903147
4-(3,5-dimethylanilino)-2-(4-ethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 43903093
7-methyl-4-(3-methylanilino)-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 43903010
4-(3,4-dichloroanilino)-2-(4-ethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 43903092
4-(3-methoxyanilino)-7-methyl-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 43903150
4,7-dimethyl-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 3159873
4-(2-ethylanilino)-2-(4-ethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 43903084
2-(4-chloroanilino)-4-(3,5-dimethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 43903047
2-anilino-4-(4-chloroanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 43902982
4-anilino-2-(4-methoxyanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 43903095
4-(4-chloroanilino)-2-(3,4-dimethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 43903235
4-(3,4-dichloroanilino)-2-(3-methoxyanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 43903207

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylanilino)-7-methyl-4-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-(4-ethylanilino)-7-methyl-4-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one (CID 43903079) is 2-(4-ethylanilino)-7-methyl-4-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-(4-ethylanilino)-7-methyl-4-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-(4-ethylanilino)-7-methyl-4-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one is CCc1ccc(Nc2nc3c(c(Nc4cccc(C)c4)n2)C(=O)CC(C)C3)cc1.
What is the InChIKey of 2-(4-ethylanilino)-7-methyl-4-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is QTCTXYFNYAHZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-4-17-8-10-18(11-9-17)26-24-27-20-13-16(3)14-21(29)22(20)23(28-24)25-19-7-5-6-15(2)12-19/h5-12,16H,4,13-14H2,1-3H3,(H2,25,26,27,28).
What are the key properties of 2-(4-ethylanilino)-7-methyl-4-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one?
2-(4-ethylanilino)-7-methyl-4-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 386.50 g/mol, XLogP of 5.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylanilino)-7-methyl-4-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 43903079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).