N-(2-bromoethyl)-2-oxo-1H-quinoline-3-carboxamide

C12H11BrN2O2 — CID 142731854

IUPACN-(2-bromoethyl)-2-oxo-1H-quinoline-3-carboxamide
SMILESO=C(NCCBr)c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C12H11BrN2O2/c13-5-6-14-11(16)9-7-8-3-1-2-4-10(8)15-12(9)17/h1-4,7H,5-6H2,(H,14,16)(H,15,17)
InChIKeyNYEAEOMRXUHDNF-UHFFFAOYSA-N
MW295.14 g/mol
LogP1.65
Rot. Bonds3

About N-(2-bromoethyl)-2-oxo-1H-quinoline-3-carboxamide

N-(2-bromoethyl)-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 142731854) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is N-(2-bromoethyl)-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-2-oxo-1H-quinoline-3-carboxamide
PubChem CID142731854
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC NameN-(2-bromoethyl)-2-oxo-1H-quinoline-3-carboxamide
SMILESO=C(NCCBr)c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C12H11BrN2O2/c13-5-6-14-11(16)9-7-8-3-1-2-4-10(8)15-12(9)17/h1-4,7H,5-6H2,(H,14,16)(H,15,17)
InChIKeyNYEAEOMRXUHDNF-UHFFFAOYSA-N
XLogP1.65
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[(2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid
CID 66951790
N-[(4-bromophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 142731957
N-[(E)-hex-4-enyl]-2-oxo-1H-quinoline-3-carboxamide
CID 142731587
2-oxo-N-(2-thiophen-2-ylethyl)-1H-quinoline-3-carboxamide
CID 16589972
N-[2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-3-carboxamide
CID 16613142
N-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 16613028
N-[(4-chlorophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 123757934
N-[(3-methyloxetan-3-yl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 86287174
N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-1H-quinoline-3-carboxamide
CID 17492319
2-oxo-N-(pyridin-2-ylmethyl)-1H-quinoline-3-carboxamide
CID 16589995
N-[(3,4-dihydroxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 142731918
2-ethyl-2-[[(2-oxo-1H-quinoline-3-carbonyl)amino]methyl]butanoic acid
CID 122126262

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-(2-bromoethyl)-2-oxo-1H-quinoline-3-carboxamide (CID 142731854) is N-(2-bromoethyl)-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(2-bromoethyl)-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(2-bromoethyl)-2-oxo-1H-quinoline-3-carboxamide is O=C(NCCBr)c1cc2ccccc2[nH]c1=O.
What is the InChIKey of N-(2-bromoethyl)-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is NYEAEOMRXUHDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c13-5-6-14-11(16)9-7-8-3-1-2-4-10(8)15-12(9)17/h1-4,7H,5-6H2,(H,14,16)(H,15,17).
What are the key properties of N-(2-bromoethyl)-2-oxo-1H-quinoline-3-carboxamide?
N-(2-bromoethyl)-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 295.14 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 142731854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).