3-amino-2-but-3-enylquinazolin-4-one

C12H13N3O — CID 12733618

IUPAC3-amino-2-but-3-enylquinazolin-4-one
SMILESC=CCCc1nc2ccccc2c(=O)n1N
InChIInChI=1S/C12H13N3O/c1-2-3-8-11-14-10-7-5-4-6-9(10)12(16)15(11)13/h2,4-7H,1,3,8,13H2
InChIKeyQZYUZHLMGHWELV-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.23
Rot. Bonds3

About 3-amino-2-but-3-enylquinazolin-4-one

3-amino-2-but-3-enylquinazolin-4-one (PubChem CID 12733618) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 3-amino-2-but-3-enylquinazolin-4-one.

Molecular Properties

Compound Name3-amino-2-but-3-enylquinazolin-4-one
PubChem CID12733618
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name3-amino-2-but-3-enylquinazolin-4-one
SMILESC=CCCc1nc2ccccc2c(=O)n1N
InChIInChI=1S/C12H13N3O/c1-2-3-8-11-14-10-7-5-4-6-9(10)12(16)15(11)13/h2,4-7H,1,3,8,13H2
InChIKeyQZYUZHLMGHWELV-UHFFFAOYSA-N
XLogP1.23
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-2-but-3-enylquinazolin-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

3-amino-2-heptylquinazolin-4-one
CID 154013236
3-amino-2-(2-hydroxy-2-phenylpropyl)quinazolin-4-one
CID 10541902
2-ethyl-3-prop-2-enylquinazolin-4-one
CID 154543894
3-amino-2-[(1-hydroxycyclopentyl)methyl]quinazolin-4-one
CID 10587365
3-amino-2-(4-phenylphenyl)quinazolin-4-one
CID 176686140
3-amino-2-(dichloromethyl)quinazolin-4-one
CID 86167528
3-methyl-2-prop-2-enylsulfanylquinazolin-4-one
CID 2138889
2-(3-amino-4-oxoquinazolin-2-yl)sulfanylacetonitrile
CID 17024685
2-(aminomethyl)-3-methylquinazolin-4-one;hydrochloride
CID 75537334
2-(piperidin-1-ylmethyl)-3-prop-2-enylquinazolin-4-one
CID 124927087
3-amino-2-benzyl-7-chloroquinazolin-4-one
CID 6488202
3-(2-hydroxyethyl)-2-[2-[3-(2-hydroxyethyl)-4-oxoquinazolin-2-yl]ethyl]quinazolin-4-one
CID 139233007

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-but-3-enylquinazolin-4-one?
The IUPAC name of 3-amino-2-but-3-enylquinazolin-4-one (CID 12733618) is 3-amino-2-but-3-enylquinazolin-4-one.
What is the SMILES notation for 3-amino-2-but-3-enylquinazolin-4-one?
The canonical SMILES for 3-amino-2-but-3-enylquinazolin-4-one is C=CCCc1nc2ccccc2c(=O)n1N.
What is the InChIKey of 3-amino-2-but-3-enylquinazolin-4-one?
The InChIKey is QZYUZHLMGHWELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-2-3-8-11-14-10-7-5-4-6-9(10)12(16)15(11)13/h2,4-7H,1,3,8,13H2.
What are the key properties of 3-amino-2-but-3-enylquinazolin-4-one?
3-amino-2-but-3-enylquinazolin-4-one has a molecular weight of 215.26 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-but-3-enylquinazolin-4-one is sourced from PubChem (CID 12733618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).