(2-chlorophenyl)methyl 2-oxo-1H-quinoline-4-carboxylate

C17H12ClNO3 — CID 895054

IUPAC(2-chlorophenyl)methyl 2-oxo-1H-quinoline-4-carboxylate
SMILESO=C(OCc1ccccc1Cl)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C17H12ClNO3/c18-14-7-3-1-5-11(14)10-22-17(21)13-9-16(20)19-15-8-4-2-6-12(13)15/h1-9H,10H2,(H,19,20)
InChIKeyFKKZXNBKCVOBPM-UHFFFAOYSA-N
MW313.74 g/mol
LogP3.54
Rot. Bonds3

About (2-chlorophenyl)methyl 2-oxo-1H-quinoline-4-carboxylate

(2-chlorophenyl)methyl 2-oxo-1H-quinoline-4-carboxylate (PubChem CID 895054) has the molecular formula C17H12ClNO3 and a molecular weight of 313.74 g/mol. Its IUPAC name is (2-chlorophenyl)methyl 2-oxo-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Name(2-chlorophenyl)methyl 2-oxo-1H-quinoline-4-carboxylate
PubChem CID895054
Molecular FormulaC17H12ClNO3
Molecular Weight313.74 g/mol
Exact Mass313.05
IUPAC Name(2-chlorophenyl)methyl 2-oxo-1H-quinoline-4-carboxylate
SMILESO=C(OCc1ccccc1Cl)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C17H12ClNO3/c18-14-7-3-1-5-11(14)10-22-17(21)13-9-16(20)19-15-8-4-2-6-12(13)15/h1-9H,10H2,(H,19,20)
InChIKeyFKKZXNBKCVOBPM-UHFFFAOYSA-N
XLogP3.54
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-2-fluorophenyl)methyl 2-oxo-1H-quinoline-4-carboxylate
CID 8853363
phenacyl 2-oxo-1H-quinoline-4-carboxylate
CID 684408
(2-oxo-2-piperidin-1-ylethyl) 2-oxo-1H-quinoline-4-carboxylate
CID 2646060
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2435196
(2-chlorophenyl)methyl 2-amino-3-chlorobenzoate
CID 115279797
(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate
CID 8789210
(2-methyl-1,3-thiazol-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate
CID 2573534
ethyl 8-chloro-2-oxo-1H-quinoline-4-carboxylate
CID 4772724
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2573552
2-oxo-1H-quinoline-4-carbohydrazide
CID 676699
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 9346196
(2-phenyl-1,3-thiazol-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate
CID 2387635

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl 2-oxo-1H-quinoline-4-carboxylate?
The IUPAC name of (2-chlorophenyl)methyl 2-oxo-1H-quinoline-4-carboxylate (CID 895054) is (2-chlorophenyl)methyl 2-oxo-1H-quinoline-4-carboxylate.
What is the SMILES notation for (2-chlorophenyl)methyl 2-oxo-1H-quinoline-4-carboxylate?
The canonical SMILES for (2-chlorophenyl)methyl 2-oxo-1H-quinoline-4-carboxylate is O=C(OCc1ccccc1Cl)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of (2-chlorophenyl)methyl 2-oxo-1H-quinoline-4-carboxylate?
The InChIKey is FKKZXNBKCVOBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO3/c18-14-7-3-1-5-11(14)10-22-17(21)13-9-16(20)19-15-8-4-2-6-12(13)15/h1-9H,10H2,(H,19,20).
What are the key properties of (2-chlorophenyl)methyl 2-oxo-1H-quinoline-4-carboxylate?
(2-chlorophenyl)methyl 2-oxo-1H-quinoline-4-carboxylate has a molecular weight of 313.74 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl 2-oxo-1H-quinoline-4-carboxylate is sourced from PubChem (CID 895054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).