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

C18H15FN2O2 — CID 30463952

IUPACN-[(1R)-1-(4-fluorophenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESC[C@@H](NC(=O)c1c[nH]c2ccccc2c1=O)c1ccc(F)cc1
InChIInChI=1S/C18H15FN2O2/c1-11(12-6-8-13(19)9-7-12)21-18(23)15-10-20-16-5-3-2-4-14(16)17(15)22/h2-11H,1H3,(H,20,22)(H,21,23)/t11-/m1/s1
InChIKeyMMSGCMUDYCUOHX-LLVKDONJSA-N
MW310.33 g/mol
LogP3.16
Rot. Bonds3

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

N-[(1R)-1-(4-fluorophenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 30463952) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID30463952
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC NameN-[(1R)-1-(4-fluorophenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESC[C@@H](NC(=O)c1c[nH]c2ccccc2c1=O)c1ccc(F)cc1
InChIInChI=1S/C18H15FN2O2/c1-11(12-6-8-13(19)9-7-12)21-18(23)15-10-20-16-5-3-2-4-14(16)17(15)22/h2-11H,1H3,(H,20,22)(H,21,23)/t11-/m1/s1
InChIKeyMMSGCMUDYCUOHX-LLVKDONJSA-N
XLogP3.16
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-aminophenyl)ethyl]-1H-indole-3-carboxamide
CID 116650078
N-[(1R)-1-(2-chlorophenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 39919365
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-(2,5-difluorophenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 30131667
2-bromo-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4782933
N-(1-hydroxypentan-3-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 115767429
N-(4-methyl-4-phenylpentan-2-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 71884766
N-[1-(2-methylphenyl)ethyl]-1H-indole-3-carboxamide
CID 60659511
6-methyl-4-oxo-N-[(1S)-1-phenylethyl]-1H-pyridine-3-carboxamide
CID 103718004
N'-(2-methoxybenzoyl)-4-oxo-1H-quinoline-3-carbohydrazide
CID 39848788
N-(4-hydroxy-1-methoxybutan-2-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 103802992

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide (CID 30463952) is N-[(1R)-1-(4-fluorophenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide is C[C@@H](NC(=O)c1c[nH]c2ccccc2c1=O)c1ccc(F)cc1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is MMSGCMUDYCUOHX-LLVKDONJSA-N. The full InChI is InChI=1S/C18H15FN2O2/c1-11(12-6-8-13(19)9-7-12)21-18(23)15-10-20-16-5-3-2-4-14(16)17(15)22/h2-11H,1H3,(H,20,22)(H,21,23)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide?
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 310.33 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 30463952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).