(1-amino-1-oxopropan-2-yl) 2-(2-chlorophenyl)quinoline-4-carboxylate

C19H15ClN2O3 — CID 18076503

IUPAC(1-amino-1-oxopropan-2-yl) 2-(2-chlorophenyl)quinoline-4-carboxylate
SMILESCC(OC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)C(N)=O
InChIInChI=1S/C19H15ClN2O3/c1-11(18(21)23)25-19(24)14-10-17(13-7-2-4-8-15(13)20)22-16-9-5-3-6-12(14)16/h2-11H,1H3,(H2,21,23)
InChIKeyHQXUNWFDNGTUMK-UHFFFAOYSA-N
MW354.79 g/mol
LogP3.59
Rot. Bonds4

About (1-amino-1-oxopropan-2-yl) 2-(2-chlorophenyl)quinoline-4-carboxylate

(1-amino-1-oxopropan-2-yl) 2-(2-chlorophenyl)quinoline-4-carboxylate (PubChem CID 18076503) has the molecular formula C19H15ClN2O3 and a molecular weight of 354.79 g/mol. Its IUPAC name is (1-amino-1-oxopropan-2-yl) 2-(2-chlorophenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name(1-amino-1-oxopropan-2-yl) 2-(2-chlorophenyl)quinoline-4-carboxylate
PubChem CID18076503
Molecular FormulaC19H15ClN2O3
Molecular Weight354.79 g/mol
Exact Mass354.08
IUPAC Name(1-amino-1-oxopropan-2-yl) 2-(2-chlorophenyl)quinoline-4-carboxylate
SMILESCC(OC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)C(N)=O
InChIInChI=1S/C19H15ClN2O3/c1-11(18(21)23)25-19(24)14-10-17(13-7-2-4-8-15(13)20)22-16-9-5-3-6-12(14)16/h2-11H,1H3,(H2,21,23)
InChIKeyHQXUNWFDNGTUMK-UHFFFAOYSA-N
XLogP3.59
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.79
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1-amino-1-oxopropan-2-yl) 2-(2-chlorophenyl)quinoline-4-carboxylate 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

[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 2551522
(1-oxo-1-phenylpropan-2-yl) 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 5182622
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 30803713
benzhydryl 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 126189047
(2-amino-2-oxoethyl) 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 2373664
[(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
[(2S)-1-amino-1-oxopropan-2-yl] 2-(4-hydroxyphenyl)quinoline-4-carboxylate
CID 135766643
[(2S)-1-oxo-1-phenylbutan-2-yl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 126186565
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 135928214
[2-(2-chlorophenyl)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 126191212
[(2S)-1-amino-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 7395384

Frequently Asked Questions

What is the IUPAC name of (1-amino-1-oxopropan-2-yl) 2-(2-chlorophenyl)quinoline-4-carboxylate?
The IUPAC name of (1-amino-1-oxopropan-2-yl) 2-(2-chlorophenyl)quinoline-4-carboxylate (CID 18076503) is (1-amino-1-oxopropan-2-yl) 2-(2-chlorophenyl)quinoline-4-carboxylate.
What is the SMILES notation for (1-amino-1-oxopropan-2-yl) 2-(2-chlorophenyl)quinoline-4-carboxylate?
The canonical SMILES for (1-amino-1-oxopropan-2-yl) 2-(2-chlorophenyl)quinoline-4-carboxylate is CC(OC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)C(N)=O.
What is the InChIKey of (1-amino-1-oxopropan-2-yl) 2-(2-chlorophenyl)quinoline-4-carboxylate?
The InChIKey is HQXUNWFDNGTUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O3/c1-11(18(21)23)25-19(24)14-10-17(13-7-2-4-8-15(13)20)22-16-9-5-3-6-12(14)16/h2-11H,1H3,(H2,21,23).
What are the key properties of (1-amino-1-oxopropan-2-yl) 2-(2-chlorophenyl)quinoline-4-carboxylate?
(1-amino-1-oxopropan-2-yl) 2-(2-chlorophenyl)quinoline-4-carboxylate has a molecular weight of 354.79 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-1-oxopropan-2-yl) 2-(2-chlorophenyl)quinoline-4-carboxylate is sourced from PubChem (CID 18076503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).