3-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one

C18H12ClNO2 — CID 34903515

IUPAC3-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one
SMILESO=C(/C=C/c1cc2ccccc2[nH]c1=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H12ClNO2/c19-15-8-5-12(6-9-15)17(21)10-7-14-11-13-3-1-2-4-16(13)20-18(14)22/h1-11H,(H,20,22)/b10-7+
InChIKeyXFEDKGSRDSZTRG-JXMROGBWSA-N
MW309.75 g/mol
LogP4.08
Rot. Bonds3

About 3-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one

3-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one (PubChem CID 34903515) has the molecular formula C18H12ClNO2 and a molecular weight of 309.75 g/mol. Its IUPAC name is 3-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one
PubChem CID34903515
Molecular FormulaC18H12ClNO2
Molecular Weight309.75 g/mol
Exact Mass309.06
IUPAC Name3-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one
SMILESO=C(/C=C/c1cc2ccccc2[nH]c1=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H12ClNO2/c19-15-8-5-12(6-9-15)17(21)10-7-14-11-13-3-1-2-4-16(13)20-18(14)22/h1-11H,(H,20,22)/b10-7+
InChIKeyXFEDKGSRDSZTRG-JXMROGBWSA-N
XLogP4.08
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one?
The IUPAC name of 3-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one (CID 34903515) is 3-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one is O=C(/C=C/c1cc2ccccc2[nH]c1=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one?
The InChIKey is XFEDKGSRDSZTRG-JXMROGBWSA-N. The full InChI is InChI=1S/C18H12ClNO2/c19-15-8-5-12(6-9-15)17(21)10-7-14-11-13-3-1-2-4-16(13)20-18(14)22/h1-11H,(H,20,22)/b10-7+.
What are the key properties of 3-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one?
3-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one has a molecular weight of 309.75 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one is sourced from PubChem (CID 34903515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).