3-quinolin-2-ylprop-1-en-1-one

C12H9NO — CID 19358692

IUPAC3-quinolin-2-ylprop-1-en-1-one
SMILESO=C=CCc1ccc2ccccc2n1
InChIInChI=1S/C12H9NO/c14-9-3-5-11-8-7-10-4-1-2-6-12(10)13-11/h1-4,6-8H,5H2
InChIKeyLHFBFHCKFYAFRG-UHFFFAOYSA-N
MW183.21 g/mol
LogP2.17
Rot. Bonds2

About 3-quinolin-2-ylprop-1-en-1-one

3-quinolin-2-ylprop-1-en-1-one (PubChem CID 19358692) has the molecular formula C12H9NO and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-quinolin-2-ylprop-1-en-1-one.

Molecular Properties

Compound Name3-quinolin-2-ylprop-1-en-1-one
PubChem CID19358692
Molecular FormulaC12H9NO
Molecular Weight183.21 g/mol
Exact Mass183.07
IUPAC Name3-quinolin-2-ylprop-1-en-1-one
SMILESO=C=CCc1ccc2ccccc2n1
InChIInChI=1S/C12H9NO/c14-9-3-5-11-8-7-10-4-1-2-6-12(10)13-11/h1-4,6-8H,5H2
InChIKeyLHFBFHCKFYAFRG-UHFFFAOYSA-N
XLogP2.17
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-quinolin-2-ylprop-1-en-1-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

2-(3-phenylprop-2-enyl)quinoline
CID 91377600
CID 89210421
CID 89210421
quinolin-2-ylmethanamine;dihydrochloride
CID 18507294
2-(iodomethyl)quinoline
CID 19432604
2-(10-quinolin-2-yldecyl)quinoline;hydrate
CID 144702573
1-quinolin-2-ylbut-3-en-2-one
CID 103453640
(2S)-2-amino-3-quinolin-2-ylpropanal
CID 18667095
2-quinolin-2-ylacetic acid;hydrate
CID 141421012
2-(methylsulfonylmethyl)quinoline
CID 14901365
quinolin-2-ylmethanesulfonamide
CID 43164320
13-quinolin-2-yltridecanal
CID 87258856
N-[(E)-2-quinolin-2-ylethylideneamino]quinoline-2-carboxamide
CID 177489963

Frequently Asked Questions

What is the IUPAC name of 3-quinolin-2-ylprop-1-en-1-one?
The IUPAC name of 3-quinolin-2-ylprop-1-en-1-one (CID 19358692) is 3-quinolin-2-ylprop-1-en-1-one.
What is the SMILES notation for 3-quinolin-2-ylprop-1-en-1-one?
The canonical SMILES for 3-quinolin-2-ylprop-1-en-1-one is O=C=CCc1ccc2ccccc2n1.
What is the InChIKey of 3-quinolin-2-ylprop-1-en-1-one?
The InChIKey is LHFBFHCKFYAFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO/c14-9-3-5-11-8-7-10-4-1-2-6-12(10)13-11/h1-4,6-8H,5H2.
What are the key properties of 3-quinolin-2-ylprop-1-en-1-one?
3-quinolin-2-ylprop-1-en-1-one has a molecular weight of 183.21 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-quinolin-2-ylprop-1-en-1-one is sourced from PubChem (CID 19358692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).