(1-oxo-1-phenylpropan-2-yl) 2-(2-chlorophenyl)quinoline-4-carboxylate

C25H18ClNO3 — CID 5182622

IUPAC(1-oxo-1-phenylpropan-2-yl) 2-(2-chlorophenyl)quinoline-4-carboxylate
SMILESCC(OC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)C(=O)c1ccccc1
InChIInChI=1S/C25H18ClNO3/c1-16(24(28)17-9-3-2-4-10-17)30-25(29)20-15-23(19-12-5-7-13-21(19)26)27-22-14-8-6-11-18(20)22/h2-16H,1H3
InChIKeySYBJYJQABMIYMF-UHFFFAOYSA-N
MW415.88 g/mol
LogP5.98
Rot. Bonds5

About (1-oxo-1-phenylpropan-2-yl) 2-(2-chlorophenyl)quinoline-4-carboxylate

(1-oxo-1-phenylpropan-2-yl) 2-(2-chlorophenyl)quinoline-4-carboxylate (PubChem CID 5182622) has the molecular formula C25H18ClNO3 and a molecular weight of 415.88 g/mol. Its IUPAC name is (1-oxo-1-phenylpropan-2-yl) 2-(2-chlorophenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name(1-oxo-1-phenylpropan-2-yl) 2-(2-chlorophenyl)quinoline-4-carboxylate
PubChem CID5182622
Molecular FormulaC25H18ClNO3
Molecular Weight415.88 g/mol
Exact Mass415.10
IUPAC Name(1-oxo-1-phenylpropan-2-yl) 2-(2-chlorophenyl)quinoline-4-carboxylate
SMILESCC(OC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)C(=O)c1ccccc1
InChIInChI=1S/C25H18ClNO3/c1-16(24(28)17-9-3-2-4-10-17)30-25(29)20-15-23(19-12-5-7-13-21(19)26)27-22-14-8-6-11-18(20)22/h2-16H,1H3
InChIKeySYBJYJQABMIYMF-UHFFFAOYSA-N
XLogP5.98
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.88
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-amino-1-oxopropan-2-yl) 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 18076503
[(2S)-1-oxo-1-phenylbutan-2-yl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 126186565
[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 126185534
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 2551522
[(2R)-1-oxo-1-phenylpropan-2-yl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 1217833
benzhydryl 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 126189047
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 30803713
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 7765896
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 7765895
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 135928214
(2-amino-2-oxoethyl) 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 2373664
[1-(3-chlorophenyl)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 16568855

Frequently Asked Questions

What is the IUPAC name of (1-oxo-1-phenylpropan-2-yl) 2-(2-chlorophenyl)quinoline-4-carboxylate?
The IUPAC name of (1-oxo-1-phenylpropan-2-yl) 2-(2-chlorophenyl)quinoline-4-carboxylate (CID 5182622) is (1-oxo-1-phenylpropan-2-yl) 2-(2-chlorophenyl)quinoline-4-carboxylate.
What is the SMILES notation for (1-oxo-1-phenylpropan-2-yl) 2-(2-chlorophenyl)quinoline-4-carboxylate?
The canonical SMILES for (1-oxo-1-phenylpropan-2-yl) 2-(2-chlorophenyl)quinoline-4-carboxylate is CC(OC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)C(=O)c1ccccc1.
What is the InChIKey of (1-oxo-1-phenylpropan-2-yl) 2-(2-chlorophenyl)quinoline-4-carboxylate?
The InChIKey is SYBJYJQABMIYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClNO3/c1-16(24(28)17-9-3-2-4-10-17)30-25(29)20-15-23(19-12-5-7-13-21(19)26)27-22-14-8-6-11-18(20)22/h2-16H,1H3.
What are the key properties of (1-oxo-1-phenylpropan-2-yl) 2-(2-chlorophenyl)quinoline-4-carboxylate?
(1-oxo-1-phenylpropan-2-yl) 2-(2-chlorophenyl)quinoline-4-carboxylate has a molecular weight of 415.88 g/mol, XLogP of 5.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxo-1-phenylpropan-2-yl) 2-(2-chlorophenyl)quinoline-4-carboxylate is sourced from PubChem (CID 5182622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).