6-amino-3-(2-aminophenyl)-2-methylquinazolin-4-one

C15H14N4O — CID 154094682

IUPAC6-amino-3-(2-aminophenyl)-2-methylquinazolin-4-one
SMILESCc1nc2ccc(N)cc2c(=O)n1-c1ccccc1N
InChIInChI=1S/C15H14N4O/c1-9-18-13-7-6-10(16)8-11(13)15(20)19(9)14-5-3-2-4-12(14)17/h2-8H,16-17H2,1H3
InChIKeyAHMBLRMQOMKUEU-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.86
Rot. Bonds1

About 6-amino-3-(2-aminophenyl)-2-methylquinazolin-4-one

6-amino-3-(2-aminophenyl)-2-methylquinazolin-4-one (PubChem CID 154094682) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 6-amino-3-(2-aminophenyl)-2-methylquinazolin-4-one.

Molecular Properties

Compound Name6-amino-3-(2-aminophenyl)-2-methylquinazolin-4-one
PubChem CID154094682
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name6-amino-3-(2-aminophenyl)-2-methylquinazolin-4-one
SMILESCc1nc2ccc(N)cc2c(=O)n1-c1ccccc1N
InChIInChI=1S/C15H14N4O/c1-9-18-13-7-6-10(16)8-11(13)15(20)19(9)14-5-3-2-4-12(14)17/h2-8H,16-17H2,1H3
InChIKeyAHMBLRMQOMKUEU-UHFFFAOYSA-N
XLogP1.86
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-aminophenyl)-6-fluoro-2-methylquinazolin-4-one
CID 171649552
2-methyl-3-phenylbenzimidazol-5-amine
CID 9115278
2-methyl-3,6-diphenylquinazolin-4-one
CID 155516068
7-amino-3-(2-aminophenyl)-1H-quinazoline-2,4-dione
CID 21275141
3-(4-hydroxy-2-methylphenyl)-2-methylquinazolin-4-one
CID 21143
3-(2-chloro-3-methylphenyl)-2-methylquinazolin-4-one
CID 3031678
7-hydroxy-2-methyl-3-(2-methylphenyl)quinazolin-4-one
CID 5377276
CID 131876705
CID 131876705
3-(2,4-difluorophenyl)-2-methylquinazolin-4-one
CID 2824755
3-[2-(1H-benzimidazol-2-yl)phenyl]-2-methylquinazolin-4-one
CID 71327930
1-(2-bromophenyl)-2-methylbenzimidazol-5-amine
CID 62507674
6-amino-2-methyl-3-(2-morpholin-4-ylethyl)quinazolin-4-one
CID 92565209

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(2-aminophenyl)-2-methylquinazolin-4-one?
The IUPAC name of 6-amino-3-(2-aminophenyl)-2-methylquinazolin-4-one (CID 154094682) is 6-amino-3-(2-aminophenyl)-2-methylquinazolin-4-one.
What is the SMILES notation for 6-amino-3-(2-aminophenyl)-2-methylquinazolin-4-one?
The canonical SMILES for 6-amino-3-(2-aminophenyl)-2-methylquinazolin-4-one is Cc1nc2ccc(N)cc2c(=O)n1-c1ccccc1N.
What is the InChIKey of 6-amino-3-(2-aminophenyl)-2-methylquinazolin-4-one?
The InChIKey is AHMBLRMQOMKUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-9-18-13-7-6-10(16)8-11(13)15(20)19(9)14-5-3-2-4-12(14)17/h2-8H,16-17H2,1H3.
What are the key properties of 6-amino-3-(2-aminophenyl)-2-methylquinazolin-4-one?
6-amino-3-(2-aminophenyl)-2-methylquinazolin-4-one has a molecular weight of 266.30 g/mol, XLogP of 1.86, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(2-aminophenyl)-2-methylquinazolin-4-one is sourced from PubChem (CID 154094682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).