6-bromo-N-(4-methoxybutyl)-2-oxo-1H-quinoline-3-carboxamide

C15H17BrN2O3 — CID 110416375

IUPAC6-bromo-N-(4-methoxybutyl)-2-oxo-1H-quinoline-3-carboxamide
SMILESCOCCCCNC(=O)c1cc2cc(Br)ccc2[nH]c1=O
InChIInChI=1S/C15H17BrN2O3/c1-21-7-3-2-6-17-14(19)12-9-10-8-11(16)4-5-13(10)18-15(12)20/h4-5,8-9H,2-3,6-7H2,1H3,(H,17,19)(H,18,20)
InChIKeyLUIHVFATDFNSRN-UHFFFAOYSA-N
MW353.22 g/mol
LogP2.45
Rot. Bonds6

About 6-bromo-N-(4-methoxybutyl)-2-oxo-1H-quinoline-3-carboxamide

6-bromo-N-(4-methoxybutyl)-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 110416375) has the molecular formula C15H17BrN2O3 and a molecular weight of 353.22 g/mol. Its IUPAC name is 6-bromo-N-(4-methoxybutyl)-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(4-methoxybutyl)-2-oxo-1H-quinoline-3-carboxamide
PubChem CID110416375
Molecular FormulaC15H17BrN2O3
Molecular Weight353.22 g/mol
Exact Mass352.04
IUPAC Name6-bromo-N-(4-methoxybutyl)-2-oxo-1H-quinoline-3-carboxamide
SMILESCOCCCCNC(=O)c1cc2cc(Br)ccc2[nH]c1=O
InChIInChI=1S/C15H17BrN2O3/c1-21-7-3-2-6-17-14(19)12-9-10-8-11(16)4-5-13(10)18-15(12)20/h4-5,8-9H,2-3,6-7H2,1H3,(H,17,19)(H,18,20)
InChIKeyLUIHVFATDFNSRN-UHFFFAOYSA-N
XLogP2.45
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-bromo-N-(4-methoxybutyl)-2-oxo-1H-quinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-2-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
CID 110296017
5-bromo-N-(3-propan-2-yloxypropyl)-1H-indole-2-carboxamide
CID 39983958
5-bromo-N-(2-methoxyethyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 129393787
4-bromo-2-fluoro-N-(3-methoxypropyl)benzamide
CID 43090254
5-bromo-N-[8-[(5-bromo-2-methoxybenzoyl)amino]octyl]-2-methoxybenzamide
CID 17233433
N-(2-bromoethyl)-2-oxo-1H-quinoline-3-carboxamide
CID 142731854
5-bromo-6-ethyl-N-(2-methoxyethyl)-2-oxo-1H-pyridine-3-carboxamide
CID 125491067
methyl 6-[(6-bromo-2-oxochromene-3-carbonyl)amino]hexanoate
CID 3803342
3,5-dibromo-N-(4-methoxybutyl)benzamide
CID 103907947
2,4-dibromo-N-(2-methoxyethyl)benzamide
CID 103882043
N-(2-methoxyethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide
CID 141129422
2-bromo-4-chloro-N-(4-methoxybutyl)benzamide
CID 103763962

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(4-methoxybutyl)-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 6-bromo-N-(4-methoxybutyl)-2-oxo-1H-quinoline-3-carboxamide (CID 110416375) is 6-bromo-N-(4-methoxybutyl)-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(4-methoxybutyl)-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 6-bromo-N-(4-methoxybutyl)-2-oxo-1H-quinoline-3-carboxamide is COCCCCNC(=O)c1cc2cc(Br)ccc2[nH]c1=O.
What is the InChIKey of 6-bromo-N-(4-methoxybutyl)-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is LUIHVFATDFNSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O3/c1-21-7-3-2-6-17-14(19)12-9-10-8-11(16)4-5-13(10)18-15(12)20/h4-5,8-9H,2-3,6-7H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 6-bromo-N-(4-methoxybutyl)-2-oxo-1H-quinoline-3-carboxamide?
6-bromo-N-(4-methoxybutyl)-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 353.22 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(4-methoxybutyl)-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 110416375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).