3-bromo-N-[1-(methylcarbamoyl)cyclopentyl]quinoline-2-carboxamide

C17H18BrN3O2 — CID 139001881

IUPAC3-bromo-N-[1-(methylcarbamoyl)cyclopentyl]quinoline-2-carboxamide
SMILESCNC(=O)C1(NC(=O)c2nc3ccccc3cc2Br)CCCC1
InChIInChI=1S/C17H18BrN3O2/c1-19-16(23)17(8-4-5-9-17)21-15(22)14-12(18)10-11-6-2-3-7-13(11)20-14/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,19,23)(H,21,22)
InChIKeyZTVIHQAMABLOQW-UHFFFAOYSA-N
MW376.25 g/mol
LogP2.79
Rot. Bonds3

About 3-bromo-N-[1-(methylcarbamoyl)cyclopentyl]quinoline-2-carboxamide

3-bromo-N-[1-(methylcarbamoyl)cyclopentyl]quinoline-2-carboxamide (PubChem CID 139001881) has the molecular formula C17H18BrN3O2 and a molecular weight of 376.25 g/mol. Its IUPAC name is 3-bromo-N-[1-(methylcarbamoyl)cyclopentyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[1-(methylcarbamoyl)cyclopentyl]quinoline-2-carboxamide
PubChem CID139001881
Molecular FormulaC17H18BrN3O2
Molecular Weight376.25 g/mol
Exact Mass375.06
IUPAC Name3-bromo-N-[1-(methylcarbamoyl)cyclopentyl]quinoline-2-carboxamide
SMILESCNC(=O)C1(NC(=O)c2nc3ccccc3cc2Br)CCCC1
InChIInChI=1S/C17H18BrN3O2/c1-19-16(23)17(8-4-5-9-17)21-15(22)14-12(18)10-11-6-2-3-7-13(11)20-14/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,19,23)(H,21,22)
InChIKeyZTVIHQAMABLOQW-UHFFFAOYSA-N
XLogP2.79
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(methylcarbamoyl)cyclopentyl]quinoline-2-carboxamide?
The IUPAC name of 3-bromo-N-[1-(methylcarbamoyl)cyclopentyl]quinoline-2-carboxamide (CID 139001881) is 3-bromo-N-[1-(methylcarbamoyl)cyclopentyl]quinoline-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[1-(methylcarbamoyl)cyclopentyl]quinoline-2-carboxamide?
The canonical SMILES for 3-bromo-N-[1-(methylcarbamoyl)cyclopentyl]quinoline-2-carboxamide is CNC(=O)C1(NC(=O)c2nc3ccccc3cc2Br)CCCC1.
What is the InChIKey of 3-bromo-N-[1-(methylcarbamoyl)cyclopentyl]quinoline-2-carboxamide?
The InChIKey is ZTVIHQAMABLOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O2/c1-19-16(23)17(8-4-5-9-17)21-15(22)14-12(18)10-11-6-2-3-7-13(11)20-14/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,19,23)(H,21,22).
What are the key properties of 3-bromo-N-[1-(methylcarbamoyl)cyclopentyl]quinoline-2-carboxamide?
3-bromo-N-[1-(methylcarbamoyl)cyclopentyl]quinoline-2-carboxamide has a molecular weight of 376.25 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-(methylcarbamoyl)cyclopentyl]quinoline-2-carboxamide is sourced from PubChem (CID 139001881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).