2-[2-(5-chlorothiophen-2-yl)-4-phenylquinolin-3-yl]acetate

C21H13ClNO2S- — CID 8966277

IUPAC2-[2-(5-chlorothiophen-2-yl)-4-phenylquinolin-3-yl]acetate
SMILESO=C([O-])Cc1c(-c2ccc(Cl)s2)nc2ccccc2c1-c1ccccc1
InChIInChI=1S/C21H14ClNO2S/c22-18-11-10-17(26-18)21-15(12-19(24)25)20(13-6-2-1-3-7-13)14-8-4-5-9-16(14)23-21/h1-11H,12H2,(H,24,25)/p-1
InChIKeyHKFLGYNXFSDGTP-UHFFFAOYSA-M
MW378.86 g/mol
LogP4.58
Rot. Bonds4

About 2-[2-(5-chlorothiophen-2-yl)-4-phenylquinolin-3-yl]acetate

2-[2-(5-chlorothiophen-2-yl)-4-phenylquinolin-3-yl]acetate (PubChem CID 8966277) has the molecular formula C21H13ClNO2S- and a molecular weight of 378.86 g/mol. Its IUPAC name is 2-[2-(5-chlorothiophen-2-yl)-4-phenylquinolin-3-yl]acetate.

Molecular Properties

Compound Name2-[2-(5-chlorothiophen-2-yl)-4-phenylquinolin-3-yl]acetate
PubChem CID8966277
Molecular FormulaC21H13ClNO2S-
Molecular Weight378.86 g/mol
Exact Mass378.04
IUPAC Name2-[2-(5-chlorothiophen-2-yl)-4-phenylquinolin-3-yl]acetate
SMILESO=C([O-])Cc1c(-c2ccc(Cl)s2)nc2ccccc2c1-c1ccccc1
InChIInChI=1S/C21H14ClNO2S/c22-18-11-10-17(26-18)21-15(12-19(24)25)20(13-6-2-1-3-7-13)14-8-4-5-9-16(14)23-21/h1-11H,12H2,(H,24,25)/p-1
InChIKeyHKFLGYNXFSDGTP-UHFFFAOYSA-M
XLogP4.58
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-methylphenyl)-4-phenylquinolin-3-yl]acetate
CID 8966340
2-[4-phenyl-2-(4-propylphenyl)quinolin-3-yl]acetate
CID 8966267
2-[6-chloro-4-(2-chlorophenyl)-2-phenylquinolin-3-yl]acetate
CID 8966809
3-chloro-2,4-diphenylquinoline
CID 10781654
sodium 2-[4-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]acetate
CID 67547495
2-[5-(5-chlorothiophen-2-yl)-2-quinolin-2-yl-1,3-oxazol-4-yl]acetate
CID 59384941
2-[4-(5-chlorothiophen-2-yl)-2-(6-methoxy-3-pyridinyl)-1,3-thiazol-5-yl]acetate
CID 59384613
2-(5-chlorothiophen-2-yl)-N-[3-[[2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 3689968
2-(2-methyl-4-phenylquinolin-3-yl)-N-propan-2-ylacetamide
CID 112759088
ethyl 2-chloro-4-phenylquinoline-3-carboxylate
CID 15669479
4-phenylquinoline-2,3-dicarboxylic acid
CID 23469806
2-(5-chlorothiophen-2-yl)-N-(2-ethylphenyl)quinoline-4-carboxamide
CID 3457981

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-chlorothiophen-2-yl)-4-phenylquinolin-3-yl]acetate?
The IUPAC name of 2-[2-(5-chlorothiophen-2-yl)-4-phenylquinolin-3-yl]acetate (CID 8966277) is 2-[2-(5-chlorothiophen-2-yl)-4-phenylquinolin-3-yl]acetate.
What is the SMILES notation for 2-[2-(5-chlorothiophen-2-yl)-4-phenylquinolin-3-yl]acetate?
The canonical SMILES for 2-[2-(5-chlorothiophen-2-yl)-4-phenylquinolin-3-yl]acetate is O=C([O-])Cc1c(-c2ccc(Cl)s2)nc2ccccc2c1-c1ccccc1.
What is the InChIKey of 2-[2-(5-chlorothiophen-2-yl)-4-phenylquinolin-3-yl]acetate?
The InChIKey is HKFLGYNXFSDGTP-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H14ClNO2S/c22-18-11-10-17(26-18)21-15(12-19(24)25)20(13-6-2-1-3-7-13)14-8-4-5-9-16(14)23-21/h1-11H,12H2,(H,24,25)/p-1.
What are the key properties of 2-[2-(5-chlorothiophen-2-yl)-4-phenylquinolin-3-yl]acetate?
2-[2-(5-chlorothiophen-2-yl)-4-phenylquinolin-3-yl]acetate has a molecular weight of 378.86 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-chlorothiophen-2-yl)-4-phenylquinolin-3-yl]acetate is sourced from PubChem (CID 8966277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).