[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)quinoline-4-carboxylate

C24H23ClN2O3 — CID 7765896

IUPAC[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)quinoline-4-carboxylate
SMILESC[C@@H](OC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)C(=O)NC1CCCC1
InChIInChI=1S/C24H23ClN2O3/c1-15(23(28)26-16-8-2-3-9-16)30-24(29)19-14-22(18-11-4-6-12-20(18)25)27-21-13-7-5-10-17(19)21/h4-7,10-16H,2-3,8-9H2,1H3,(H,26,28)/t15-/m1/s1
InChIKeyQUHVVJMKMUUHTO-OAHLLOKOSA-N
MW422.91 g/mol
LogP5.16
Rot. Bonds5

About [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)quinoline-4-carboxylate

[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)quinoline-4-carboxylate (PubChem CID 7765896) has the molecular formula C24H23ClN2O3 and a molecular weight of 422.91 g/mol. Its IUPAC name is [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)quinoline-4-carboxylate
PubChem CID7765896
Molecular FormulaC24H23ClN2O3
Molecular Weight422.91 g/mol
Exact Mass422.14
IUPAC Name[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)quinoline-4-carboxylate
SMILESC[C@@H](OC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)C(=O)NC1CCCC1
InChIInChI=1S/C24H23ClN2O3/c1-15(23(28)26-16-8-2-3-9-16)30-24(29)19-14-22(18-11-4-6-12-20(18)25)27-21-13-7-5-10-17(19)21/h4-7,10-16H,2-3,8-9H2,1H3,(H,26,28)/t15-/m1/s1
InChIKeyQUHVVJMKMUUHTO-OAHLLOKOSA-N
XLogP5.16
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.91
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)quinoline-4-carboxylate with MolForge

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Related Compounds

[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 7765895
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 2551522
(1-amino-1-oxopropan-2-yl) 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 18076503
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 7395332
(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
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2,4-dimethylquinoline-3-carboxylate
CID 8825300
[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 8663404
[(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
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 6-methoxy-2-phenylquinoline-4-carboxylate
CID 7132372

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)quinoline-4-carboxylate?
The IUPAC name of [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)quinoline-4-carboxylate (CID 7765896) is [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)quinoline-4-carboxylate.
What is the SMILES notation for [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)quinoline-4-carboxylate?
The canonical SMILES for [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)quinoline-4-carboxylate is C[C@@H](OC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)C(=O)NC1CCCC1.
What is the InChIKey of [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)quinoline-4-carboxylate?
The InChIKey is QUHVVJMKMUUHTO-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H23ClN2O3/c1-15(23(28)26-16-8-2-3-9-16)30-24(29)19-14-22(18-11-4-6-12-20(18)25)27-21-13-7-5-10-17(19)21/h4-7,10-16H,2-3,8-9H2,1H3,(H,26,28)/t15-/m1/s1.
What are the key properties of [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)quinoline-4-carboxylate?
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)quinoline-4-carboxylate has a molecular weight of 422.91 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)quinoline-4-carboxylate is sourced from PubChem (CID 7765896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).