6-chloro-3-[(E)-3-phenylprop-2-enoyl]-4-thiophen-2-yl-1H-quinolin-2-one

C22H14ClNO2S — CID 134253189

IUPAC6-chloro-3-[(E)-3-phenylprop-2-enoyl]-4-thiophen-2-yl-1H-quinolin-2-one
SMILESO=C(/C=C/c1ccccc1)c1c(-c2cccs2)c2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C22H14ClNO2S/c23-15-9-10-17-16(13-15)20(19-7-4-12-27-19)21(22(26)24-17)18(25)11-8-14-5-2-1-3-6-14/h1-13H,(H,24,26)/b11-8+
InChIKeyNQFRWNRWINIGEM-DHZHZOJOSA-N
MW391.88 g/mol
LogP5.81
Rot. Bonds4

About 6-chloro-3-[(E)-3-phenylprop-2-enoyl]-4-thiophen-2-yl-1H-quinolin-2-one

6-chloro-3-[(E)-3-phenylprop-2-enoyl]-4-thiophen-2-yl-1H-quinolin-2-one (PubChem CID 134253189) has the molecular formula C22H14ClNO2S and a molecular weight of 391.88 g/mol. Its IUPAC name is 6-chloro-3-[(E)-3-phenylprop-2-enoyl]-4-thiophen-2-yl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-3-[(E)-3-phenylprop-2-enoyl]-4-thiophen-2-yl-1H-quinolin-2-one
PubChem CID134253189
Molecular FormulaC22H14ClNO2S
Molecular Weight391.88 g/mol
Exact Mass391.04
IUPAC Name6-chloro-3-[(E)-3-phenylprop-2-enoyl]-4-thiophen-2-yl-1H-quinolin-2-one
SMILESO=C(/C=C/c1ccccc1)c1c(-c2cccs2)c2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C22H14ClNO2S/c23-15-9-10-17-16(13-15)20(19-7-4-12-27-19)21(22(26)24-17)18(25)11-8-14-5-2-1-3-6-14/h1-13H,(H,24,26)/b11-8+
InChIKeyNQFRWNRWINIGEM-DHZHZOJOSA-N
XLogP5.81
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.88
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-chloro-3-[(E)-3-phenylprop-2-enoyl]-4-thiophen-2-yl-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

Related Compounds

6-chloro-3-[(E)-3-(5-chloro-3-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
CID 134247975
6-chloro-3-[3-(4-methoxyphenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
CID 3123581
6-chloro-3-[3-(3-nitrophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
CID 3091000
6-chloro-3-[3-(2-chlorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
CID 2879879
6-chloro-3-[3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
CID 138107763
6-chloro-4-phenyl-3-(3-pyridin-2-ylprop-2-enoyl)-1H-quinolin-2-one
CID 3131553
6-chloro-3-[3-(2-methylphenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
CID 4668889
3-[3-(1H-benzimidazol-2-yl)prop-2-enoyl]-6-chloro-4-phenyl-1H-quinolin-2-one
CID 3259138
6-chloro-4-phenyl-3-(3-pyrazin-2-ylprop-2-enoyl)-1H-quinolin-2-one
CID 140843187
6-chloro-3-[3-(2-chloroquinolin-3-yl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
CID 3272201
6-chloro-4-(5-fluoro-3-pyridinyl)-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one
CID 134253208
3-[(E)-3-(1H-benzimidazol-2-yl)prop-2-enoyl]-6-chloro-4-pyridin-2-yl-1H-quinolin-2-one;6-chloro-3-[(E)-3-phenylprop-2-enoyl]-4-pyridin-3-yl-1H-quinolin-2-one
CID 145149184

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(E)-3-phenylprop-2-enoyl]-4-thiophen-2-yl-1H-quinolin-2-one?
The IUPAC name of 6-chloro-3-[(E)-3-phenylprop-2-enoyl]-4-thiophen-2-yl-1H-quinolin-2-one (CID 134253189) is 6-chloro-3-[(E)-3-phenylprop-2-enoyl]-4-thiophen-2-yl-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-3-[(E)-3-phenylprop-2-enoyl]-4-thiophen-2-yl-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-3-[(E)-3-phenylprop-2-enoyl]-4-thiophen-2-yl-1H-quinolin-2-one is O=C(/C=C/c1ccccc1)c1c(-c2cccs2)c2cc(Cl)ccc2[nH]c1=O.
What is the InChIKey of 6-chloro-3-[(E)-3-phenylprop-2-enoyl]-4-thiophen-2-yl-1H-quinolin-2-one?
The InChIKey is NQFRWNRWINIGEM-DHZHZOJOSA-N. The full InChI is InChI=1S/C22H14ClNO2S/c23-15-9-10-17-16(13-15)20(19-7-4-12-27-19)21(22(26)24-17)18(25)11-8-14-5-2-1-3-6-14/h1-13H,(H,24,26)/b11-8+.
What are the key properties of 6-chloro-3-[(E)-3-phenylprop-2-enoyl]-4-thiophen-2-yl-1H-quinolin-2-one?
6-chloro-3-[(E)-3-phenylprop-2-enoyl]-4-thiophen-2-yl-1H-quinolin-2-one has a molecular weight of 391.88 g/mol, XLogP of 5.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(E)-3-phenylprop-2-enoyl]-4-thiophen-2-yl-1H-quinolin-2-one is sourced from PubChem (CID 134253189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).