[2-(4-chlorophenyl)-2-oxoethyl] 2-methylquinoline-4-carboxylate

C19H14ClNO3 — CID 882322

IUPAC[2-(4-chlorophenyl)-2-oxoethyl] 2-methylquinoline-4-carboxylate
SMILESCc1cc(C(=O)OCC(=O)c2ccc(Cl)cc2)c2ccccc2n1
InChIInChI=1S/C19H14ClNO3/c1-12-10-16(15-4-2-3-5-17(15)21-12)19(23)24-11-18(22)13-6-8-14(20)9-7-13/h2-10H,11H2,1H3
InChIKeyBXHMHPFARNGROO-UHFFFAOYSA-N
MW339.78 g/mol
LogP4.24
Rot. Bonds4

About [2-(4-chlorophenyl)-2-oxoethyl] 2-methylquinoline-4-carboxylate

[2-(4-chlorophenyl)-2-oxoethyl] 2-methylquinoline-4-carboxylate (PubChem CID 882322) has the molecular formula C19H14ClNO3 and a molecular weight of 339.78 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-2-oxoethyl] 2-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-2-oxoethyl] 2-methylquinoline-4-carboxylate
PubChem CID882322
Molecular FormulaC19H14ClNO3
Molecular Weight339.78 g/mol
Exact Mass339.07
IUPAC Name[2-(4-chlorophenyl)-2-oxoethyl] 2-methylquinoline-4-carboxylate
SMILESCc1cc(C(=O)OCC(=O)c2ccc(Cl)cc2)c2ccccc2n1
InChIInChI=1S/C19H14ClNO3/c1-12-10-16(15-4-2-3-5-17(15)21-12)19(23)24-11-18(22)13-6-8-14(20)9-7-13/h2-10H,11H2,1H3
InChIKeyBXHMHPFARNGROO-UHFFFAOYSA-N
XLogP4.24
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3,4-difluorophenyl)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2484413
[2-(4-chlorophenyl)-2-oxoethyl] 2,8-dimethylquinoline-4-carboxylate
CID 3290572
[2-(4-chlorophenyl)-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
CID 4271505
[2-(3-fluorophenyl)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 8675808
2-(4-chlorophenoxy)ethyl 2-methylquinoline-4-carboxylate
CID 7351431
[2-(3,4-difluorophenyl)-2-oxoethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate
CID 2114772
[2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 5076248
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 7351421
[2-[4-(furan-2-carbonyloxy)phenyl]-2-oxoethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate
CID 3404865
benzyl 2-methylquinoline-4-carboxylate
CID 804130
(2,6-dichlorophenyl)methyl 2-methylquinoline-4-carboxylate
CID 2432200
[2-(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2089509

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-2-oxoethyl] 2-methylquinoline-4-carboxylate?
The IUPAC name of [2-(4-chlorophenyl)-2-oxoethyl] 2-methylquinoline-4-carboxylate (CID 882322) is [2-(4-chlorophenyl)-2-oxoethyl] 2-methylquinoline-4-carboxylate.
What is the SMILES notation for [2-(4-chlorophenyl)-2-oxoethyl] 2-methylquinoline-4-carboxylate?
The canonical SMILES for [2-(4-chlorophenyl)-2-oxoethyl] 2-methylquinoline-4-carboxylate is Cc1cc(C(=O)OCC(=O)c2ccc(Cl)cc2)c2ccccc2n1.
What is the InChIKey of [2-(4-chlorophenyl)-2-oxoethyl] 2-methylquinoline-4-carboxylate?
The InChIKey is BXHMHPFARNGROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO3/c1-12-10-16(15-4-2-3-5-17(15)21-12)19(23)24-11-18(22)13-6-8-14(20)9-7-13/h2-10H,11H2,1H3.
What are the key properties of [2-(4-chlorophenyl)-2-oxoethyl] 2-methylquinoline-4-carboxylate?
[2-(4-chlorophenyl)-2-oxoethyl] 2-methylquinoline-4-carboxylate has a molecular weight of 339.78 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-2-oxoethyl] 2-methylquinoline-4-carboxylate is sourced from PubChem (CID 882322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).