6-amino-7-(3-methylbut-2-enylamino)-3H-quinazolin-4-one

C13H16N4O — CID 136987739

IUPAC6-amino-7-(3-methylbut-2-enylamino)-3H-quinazolin-4-one
SMILESCC(C)=CCNc1cc2nc[nH]c(=O)c2cc1N
InChIInChI=1S/C13H16N4O/c1-8(2)3-4-15-12-6-11-9(5-10(12)14)13(18)17-7-16-11/h3,5-7,15H,4,14H2,1-2H3,(H,16,17,18)
InChIKeyWWZYTTJGZMLCDS-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.88
Rot. Bonds3

About 6-amino-7-(3-methylbut-2-enylamino)-3H-quinazolin-4-one

6-amino-7-(3-methylbut-2-enylamino)-3H-quinazolin-4-one (PubChem CID 136987739) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 6-amino-7-(3-methylbut-2-enylamino)-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-amino-7-(3-methylbut-2-enylamino)-3H-quinazolin-4-one
PubChem CID136987739
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name6-amino-7-(3-methylbut-2-enylamino)-3H-quinazolin-4-one
SMILESCC(C)=CCNc1cc2nc[nH]c(=O)c2cc1N
InChIInChI=1S/C13H16N4O/c1-8(2)3-4-15-12-6-11-9(5-10(12)14)13(18)17-7-16-11/h3,5-7,15H,4,14H2,1-2H3,(H,16,17,18)
InChIKeyWWZYTTJGZMLCDS-UHFFFAOYSA-N
XLogP1.88
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-amino-7-(3-methylbut-2-enylamino)-3H-quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-Amino-1,4-dihydroquinazolin-4-one
CID 135623998
N-ethyl-4-methyl-3-[6-(4-methyl-piperazin-1-yl)-4-oxo-4H-quinazolin-3-yl]benzamide
CID 15951509
N-[2-(dimethylamino)ethyl]-6H-imidazo[4,5-a]phenazine-10-carboxamide
CID 135432951
Acetamide, N-(3,4-dihydro-4-oxo-6-quinazolinyl)-
CID 135403391
7-Amino-quinazolin-4-ol
CID 135478031
Cyclopropanecarboxylic acid (3-benzyl-7-diethylamino-2-methyl-4-oxo-3,4-dihydro-quinazolin-6-yl)-amide
CID 1454595
N-[3-benzyl-7-(4-ethylpiperazin-1-yl)-2-methyl-4-oxoquinazolin-6-yl]-2-fluorobenzamide
CID 3213399
N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]benzamide
CID 70687994
N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]cyclobutanecarboxamide
CID 70687997
2-fluoro-N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]benzamide
CID 70690019
N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]cyclopropanecarboxamide
CID 70690020
3-fluoro-N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]benzamide
CID 70694238

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-(3-methylbut-2-enylamino)-3H-quinazolin-4-one?
The IUPAC name of 6-amino-7-(3-methylbut-2-enylamino)-3H-quinazolin-4-one (CID 136987739) is 6-amino-7-(3-methylbut-2-enylamino)-3H-quinazolin-4-one.
What is the SMILES notation for 6-amino-7-(3-methylbut-2-enylamino)-3H-quinazolin-4-one?
The canonical SMILES for 6-amino-7-(3-methylbut-2-enylamino)-3H-quinazolin-4-one is CC(C)=CCNc1cc2nc[nH]c(=O)c2cc1N.
What is the InChIKey of 6-amino-7-(3-methylbut-2-enylamino)-3H-quinazolin-4-one?
The InChIKey is WWZYTTJGZMLCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-8(2)3-4-15-12-6-11-9(5-10(12)14)13(18)17-7-16-11/h3,5-7,15H,4,14H2,1-2H3,(H,16,17,18).
What are the key properties of 6-amino-7-(3-methylbut-2-enylamino)-3H-quinazolin-4-one?
6-amino-7-(3-methylbut-2-enylamino)-3H-quinazolin-4-one has a molecular weight of 244.30 g/mol, XLogP of 1.88, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-(3-methylbut-2-enylamino)-3H-quinazolin-4-one is sourced from PubChem (CID 136987739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).