6-bromo-2-methyl-N-(2-piperazin-1-ylethyl)quinoline-4-carboxamide

C17H21BrN4O — CID 119445544

IUPAC6-bromo-2-methyl-N-(2-piperazin-1-ylethyl)quinoline-4-carboxamide
SMILESCc1cc(C(=O)NCCN2CCNCC2)c2cc(Br)ccc2n1
InChIInChI=1S/C17H21BrN4O/c1-12-10-15(14-11-13(18)2-3-16(14)21-12)17(23)20-6-9-22-7-4-19-5-8-22/h2-3,10-11,19H,4-9H2,1H3,(H,20,23)
InChIKeyGRWQYNQEVIJLRR-UHFFFAOYSA-N
MW377.29 g/mol
LogP1.94
Rot. Bonds4

About 6-bromo-2-methyl-N-(2-piperazin-1-ylethyl)quinoline-4-carboxamide

6-bromo-2-methyl-N-(2-piperazin-1-ylethyl)quinoline-4-carboxamide (PubChem CID 119445544) has the molecular formula C17H21BrN4O and a molecular weight of 377.29 g/mol. Its IUPAC name is 6-bromo-2-methyl-N-(2-piperazin-1-ylethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name6-bromo-2-methyl-N-(2-piperazin-1-ylethyl)quinoline-4-carboxamide
PubChem CID119445544
Molecular FormulaC17H21BrN4O
Molecular Weight377.29 g/mol
Exact Mass376.09
IUPAC Name6-bromo-2-methyl-N-(2-piperazin-1-ylethyl)quinoline-4-carboxamide
SMILESCc1cc(C(=O)NCCN2CCNCC2)c2cc(Br)ccc2n1
InChIInChI=1S/C17H21BrN4O/c1-12-10-15(14-11-13(18)2-3-16(14)21-12)17(23)20-6-9-22-7-4-19-5-8-22/h2-3,10-11,19H,4-9H2,1H3,(H,20,23)
InChIKeyGRWQYNQEVIJLRR-UHFFFAOYSA-N
XLogP1.94
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.29
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-N-(2-methoxyethyl)-2-methylquinoline-4-carboxamide
CID 46291474
6-fluoro-2-methyl-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
CID 42750288
6-bromo-2-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 2933815
N-[2-(azepan-1-yl)ethyl]-2-methylquinoline-4-carboxamide
CID 46291441
2,7-dimethyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
CID 47000437
2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-4-carboxamide
CID 166181784
2-methyl-N-(2-piperazin-1-ylethyl)-5-sulfanylbenzamide
CID 107024052
2-chloro-4-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 106862040
3-bromo-4-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 81471524
4-bromo-2-chloro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43805782
5-bromo-2-fluoro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443297
2,5-dimethyl-N-(2-piperazin-1-ylethyl)pyrazole-3-carboxamide
CID 66127121

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methyl-N-(2-piperazin-1-ylethyl)quinoline-4-carboxamide?
The IUPAC name of 6-bromo-2-methyl-N-(2-piperazin-1-ylethyl)quinoline-4-carboxamide (CID 119445544) is 6-bromo-2-methyl-N-(2-piperazin-1-ylethyl)quinoline-4-carboxamide.
What is the SMILES notation for 6-bromo-2-methyl-N-(2-piperazin-1-ylethyl)quinoline-4-carboxamide?
The canonical SMILES for 6-bromo-2-methyl-N-(2-piperazin-1-ylethyl)quinoline-4-carboxamide is Cc1cc(C(=O)NCCN2CCNCC2)c2cc(Br)ccc2n1.
What is the InChIKey of 6-bromo-2-methyl-N-(2-piperazin-1-ylethyl)quinoline-4-carboxamide?
The InChIKey is GRWQYNQEVIJLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN4O/c1-12-10-15(14-11-13(18)2-3-16(14)21-12)17(23)20-6-9-22-7-4-19-5-8-22/h2-3,10-11,19H,4-9H2,1H3,(H,20,23).
What are the key properties of 6-bromo-2-methyl-N-(2-piperazin-1-ylethyl)quinoline-4-carboxamide?
6-bromo-2-methyl-N-(2-piperazin-1-ylethyl)quinoline-4-carboxamide has a molecular weight of 377.29 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methyl-N-(2-piperazin-1-ylethyl)quinoline-4-carboxamide is sourced from PubChem (CID 119445544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).