[(2R)-1-anilino-1-oxopropan-2-yl] 2-chloroquinoline-4-carboxylate

C19H15ClN2O3 — CID 9009541

IUPAC[(2R)-1-anilino-1-oxopropan-2-yl] 2-chloroquinoline-4-carboxylate
SMILESC[C@@H](OC(=O)c1cc(Cl)nc2ccccc12)C(=O)Nc1ccccc1
InChIInChI=1S/C19H15ClN2O3/c1-12(18(23)21-13-7-3-2-4-8-13)25-19(24)15-11-17(20)22-16-10-6-5-9-14(15)16/h2-12H,1H3,(H,21,23)/t12-/m1/s1
InChIKeyGNFVBCRNVQYGIP-GFCCVEGCSA-N
MW354.79 g/mol
LogP4.07
Rot. Bonds4

About [(2R)-1-anilino-1-oxopropan-2-yl] 2-chloroquinoline-4-carboxylate

[(2R)-1-anilino-1-oxopropan-2-yl] 2-chloroquinoline-4-carboxylate (PubChem CID 9009541) has the molecular formula C19H15ClN2O3 and a molecular weight of 354.79 g/mol. Its IUPAC name is [(2R)-1-anilino-1-oxopropan-2-yl] 2-chloroquinoline-4-carboxylate.

Molecular Properties

Compound Name[(2R)-1-anilino-1-oxopropan-2-yl] 2-chloroquinoline-4-carboxylate
PubChem CID9009541
Molecular FormulaC19H15ClN2O3
Molecular Weight354.79 g/mol
Exact Mass354.08
IUPAC Name[(2R)-1-anilino-1-oxopropan-2-yl] 2-chloroquinoline-4-carboxylate
SMILESC[C@@H](OC(=O)c1cc(Cl)nc2ccccc12)C(=O)Nc1ccccc1
InChIInChI=1S/C19H15ClN2O3/c1-12(18(23)21-13-7-3-2-4-8-13)25-19(24)15-11-17(20)22-16-10-6-5-9-14(15)16/h2-12H,1H3,(H,21,23)/t12-/m1/s1
InChIKeyGNFVBCRNVQYGIP-GFCCVEGCSA-N
XLogP4.07
TPSA68.29 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 ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-chloroquinoline-4-carboxylate
CID 9009567
[(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl] 2-chloroquinoline-4-carboxylate
CID 8739128
[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 2-chloroquinoline-4-carboxylate
CID 9009511
[(2R)-1-(benzylamino)-1-oxopropan-2-yl] 2-chloroquinoline-4-carboxylate
CID 9009492
[(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 2-chloroquinoline-4-carboxylate
CID 9009589
[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 2-chloroquinoline-4-carboxylate
CID 8739165
[1-(4-chloroanilino)-1-oxopropan-2-yl] 2-methylquinoline-4-carboxylate
CID 6914942
[(2S)-1-(2-nitroanilino)-1-oxopropan-2-yl] 2-chloroquinoline-4-carboxylate
CID 9009627
[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] 2-chloroquinoline-4-carboxylate
CID 9009629
[(2R)-1-anilino-1-oxopropan-2-yl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 7825067
[(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-chloroquinoline-4-carboxylate
CID 8739186
methyl 2-chloroquinoline-4-carboxylate
CID 5202936

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-anilino-1-oxopropan-2-yl] 2-chloroquinoline-4-carboxylate?
The IUPAC name of [(2R)-1-anilino-1-oxopropan-2-yl] 2-chloroquinoline-4-carboxylate (CID 9009541) is [(2R)-1-anilino-1-oxopropan-2-yl] 2-chloroquinoline-4-carboxylate.
What is the SMILES notation for [(2R)-1-anilino-1-oxopropan-2-yl] 2-chloroquinoline-4-carboxylate?
The canonical SMILES for [(2R)-1-anilino-1-oxopropan-2-yl] 2-chloroquinoline-4-carboxylate is C[C@@H](OC(=O)c1cc(Cl)nc2ccccc12)C(=O)Nc1ccccc1.
What is the InChIKey of [(2R)-1-anilino-1-oxopropan-2-yl] 2-chloroquinoline-4-carboxylate?
The InChIKey is GNFVBCRNVQYGIP-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H15ClN2O3/c1-12(18(23)21-13-7-3-2-4-8-13)25-19(24)15-11-17(20)22-16-10-6-5-9-14(15)16/h2-12H,1H3,(H,21,23)/t12-/m1/s1.
What are the key properties of [(2R)-1-anilino-1-oxopropan-2-yl] 2-chloroquinoline-4-carboxylate?
[(2R)-1-anilino-1-oxopropan-2-yl] 2-chloroquinoline-4-carboxylate has a molecular weight of 354.79 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-anilino-1-oxopropan-2-yl] 2-chloroquinoline-4-carboxylate is sourced from PubChem (CID 9009541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).