N-[(1R)-1-(2-chlorophenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide

C18H15ClN2O2 — CID 39919365

IUPACN-[(1R)-1-(2-chlorophenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESC[C@@H](NC(=O)c1c[nH]c2ccccc2c1=O)c1ccccc1Cl
InChIInChI=1S/C18H15ClN2O2/c1-11(12-6-2-4-8-15(12)19)21-18(23)14-10-20-16-9-5-3-7-13(16)17(14)22/h2-11H,1H3,(H,20,22)(H,21,23)/t11-/m1/s1
InChIKeyBULYMBWTVSNNPM-LLVKDONJSA-N
MW326.78 g/mol
LogP3.67
Rot. Bonds3

About N-[(1R)-1-(2-chlorophenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide

N-[(1R)-1-(2-chlorophenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 39919365) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is N-[(1R)-1-(2-chlorophenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-chlorophenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID39919365
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC NameN-[(1R)-1-(2-chlorophenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESC[C@@H](NC(=O)c1c[nH]c2ccccc2c1=O)c1ccccc1Cl
InChIInChI=1S/C18H15ClN2O2/c1-11(12-6-2-4-8-15(12)19)21-18(23)14-10-20-16-9-5-3-7-13(16)17(14)22/h2-11H,1H3,(H,20,22)(H,21,23)/t11-/m1/s1
InChIKeyBULYMBWTVSNNPM-LLVKDONJSA-N
XLogP3.67
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(4-fluorophenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 30463952
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 111451138
N-[1-(2-methylphenyl)ethyl]-1H-indole-3-carboxamide
CID 60659511
[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 8607480
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-oxo-1H-quinoline-3-carboxamide
CID 79252594
N-(1-hydroxy-4-methylpentan-2-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 61246049
N-(1-hydroxypentan-3-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 115767429
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(methylamino)benzamide
CID 81379610
N-(4-hydroxy-1-methoxybutan-2-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 103802992
N-(4-methyl-4-phenylpentan-2-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 71884766
2-acetamido-N-[1-(2-chlorophenyl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 51163488
4-chloro-N-[1-(2-chlorophenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 134012860

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-chlorophenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[(1R)-1-(2-chlorophenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide (CID 39919365) is N-[(1R)-1-(2-chlorophenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-(2-chlorophenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[(1R)-1-(2-chlorophenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide is C[C@@H](NC(=O)c1c[nH]c2ccccc2c1=O)c1ccccc1Cl.
What is the InChIKey of N-[(1R)-1-(2-chlorophenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is BULYMBWTVSNNPM-LLVKDONJSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-11(12-6-2-4-8-15(12)19)21-18(23)14-10-20-16-9-5-3-7-13(16)17(14)22/h2-11H,1H3,(H,20,22)(H,21,23)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(2-chlorophenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide?
N-[(1R)-1-(2-chlorophenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 326.78 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-chlorophenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 39919365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).