N-[(1R)-1-(4-bromophenyl)ethyl]-1-methyl-4-oxoquinoline-3-carboxamide

C19H17BrN2O2 — CID 30131803

IUPACN-[(1R)-1-(4-bromophenyl)ethyl]-1-methyl-4-oxoquinoline-3-carboxamide
SMILESC[C@@H](NC(=O)c1cn(C)c2ccccc2c1=O)c1ccc(Br)cc1
InChIInChI=1S/C19H17BrN2O2/c1-12(13-7-9-14(20)10-8-13)21-19(24)16-11-22(2)17-6-4-3-5-15(17)18(16)23/h3-12H,1-2H3,(H,21,24)/t12-/m1/s1
InChIKeyZLMVFELKPWVGEP-GFCCVEGCSA-N
MW385.26 g/mol
LogP3.79
Rot. Bonds3

About N-[(1R)-1-(4-bromophenyl)ethyl]-1-methyl-4-oxoquinoline-3-carboxamide

N-[(1R)-1-(4-bromophenyl)ethyl]-1-methyl-4-oxoquinoline-3-carboxamide (PubChem CID 30131803) has the molecular formula C19H17BrN2O2 and a molecular weight of 385.26 g/mol. Its IUPAC name is N-[(1R)-1-(4-bromophenyl)ethyl]-1-methyl-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-bromophenyl)ethyl]-1-methyl-4-oxoquinoline-3-carboxamide
PubChem CID30131803
Molecular FormulaC19H17BrN2O2
Molecular Weight385.26 g/mol
Exact Mass384.05
IUPAC NameN-[(1R)-1-(4-bromophenyl)ethyl]-1-methyl-4-oxoquinoline-3-carboxamide
SMILESC[C@@H](NC(=O)c1cn(C)c2ccccc2c1=O)c1ccc(Br)cc1
InChIInChI=1S/C19H17BrN2O2/c1-12(13-7-9-14(20)10-8-13)21-19(24)16-11-22(2)17-6-4-3-5-15(17)18(16)23/h3-12H,1-2H3,(H,21,24)/t12-/m1/s1
InChIKeyZLMVFELKPWVGEP-GFCCVEGCSA-N
XLogP3.79
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.26
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-oxo-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]quinoline-3-carboxamide
CID 30463969
N-[(1S)-1-(2-bromophenyl)ethyl]-1-methylindole-3-carboxamide
CID 9152128
6-ethoxy-1-methyl-4-oxo-N-[(1R)-1-phenylethyl]quinoline-3-carboxamide
CID 30133856
N-[1-(4-bromophenyl)ethyl]isoquinoline-4-carboxamide
CID 87023885
N-[(1S)-1-(3-chlorophenyl)ethyl]-1-methylindole-3-carboxamide
CID 9181387
2-[[(1R)-1-(4-bromophenyl)ethyl]carbamoyl]benzoic acid
CID 81356390
N-[1-(4-bromophenyl)ethyl]-2-iodobenzamide
CID 42906427
N-[1-(4-chlorophenyl)ethyl]-6-ethoxy-1-methyl-4-oxoquinoline-3-carboxamide
CID 43888799
methyl (2S)-2-[(1-methylindole-3-carbonyl)amino]propanoate
CID 47337364
N-[1-(4-bromophenyl)ethyl]-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide
CID 43888757
methyl (2S)-3-methyl-2-[(1-methylindole-3-carbonyl)amino]butanoate
CID 51681664
6-bromo-9-oxo-N-[(1R)-1-phenylethyl]-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide
CID 92878839

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-1-methyl-4-oxoquinoline-3-carboxamide?
The IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-1-methyl-4-oxoquinoline-3-carboxamide (CID 30131803) is N-[(1R)-1-(4-bromophenyl)ethyl]-1-methyl-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-bromophenyl)ethyl]-1-methyl-4-oxoquinoline-3-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-bromophenyl)ethyl]-1-methyl-4-oxoquinoline-3-carboxamide is C[C@@H](NC(=O)c1cn(C)c2ccccc2c1=O)c1ccc(Br)cc1.
What is the InChIKey of N-[(1R)-1-(4-bromophenyl)ethyl]-1-methyl-4-oxoquinoline-3-carboxamide?
The InChIKey is ZLMVFELKPWVGEP-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H17BrN2O2/c1-12(13-7-9-14(20)10-8-13)21-19(24)16-11-22(2)17-6-4-3-5-15(17)18(16)23/h3-12H,1-2H3,(H,21,24)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(4-bromophenyl)ethyl]-1-methyl-4-oxoquinoline-3-carboxamide?
N-[(1R)-1-(4-bromophenyl)ethyl]-1-methyl-4-oxoquinoline-3-carboxamide has a molecular weight of 385.26 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-bromophenyl)ethyl]-1-methyl-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 30131803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).