4-bromo-N-pentylquinoline-2-carboxamide

C15H17BrN2O — CID 178088871

IUPAC4-bromo-N-pentylquinoline-2-carboxamide
SMILESCCCCCNC(=O)c1cc(Br)c2ccccc2n1
InChIInChI=1S/C15H17BrN2O/c1-2-3-6-9-17-15(19)14-10-12(16)11-7-4-5-8-13(11)18-14/h4-5,7-8,10H,2-3,6,9H2,1H3,(H,17,19)
InChIKeyBJABSVHGSZXYCL-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.92
Rot. Bonds5

About 4-bromo-N-pentylquinoline-2-carboxamide

4-bromo-N-pentylquinoline-2-carboxamide (PubChem CID 178088871) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 4-bromo-N-pentylquinoline-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-pentylquinoline-2-carboxamide
PubChem CID178088871
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name4-bromo-N-pentylquinoline-2-carboxamide
SMILESCCCCCNC(=O)c1cc(Br)c2ccccc2n1
InChIInChI=1S/C15H17BrN2O/c1-2-3-6-9-17-15(19)14-10-12(16)11-7-4-5-8-13(11)18-14/h4-5,7-8,10H,2-3,6,9H2,1H3,(H,17,19)
InChIKeyBJABSVHGSZXYCL-UHFFFAOYSA-N
XLogP3.92
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(6-chloro-1-methyl-2,3-didehydro-4H-pyridazin-2-ium-5-yl)-N-pentylquinoline-2-carboxamide
CID 178088841
N-dodecyl-2-phenylquinoline-4-carboxamide
CID 4169141
4-amino-N-(2-butoxyethyl)quinoline-2-carboxamide
CID 63375414
4-(2-adamantyl)-N-butylquinoline-2-carboxamide
CID 5273600
2-(3-bromophenyl)-N-decylquinoline-4-carboxamide
CID 5227536
2-N,6-N-didecylpyridine-2,6-dicarboxamide
CID 4564479
N-butyl-2-chloroquinoline-4-carboxamide
CID 14813194
4-amino-N-(3-methylsulfonylpropyl)quinoline-2-carboxamide
CID 63375138
N-[3-(dimethylamino)propyl]-4-(methylamino)quinoline-2-carboxamide
CID 63375251
2-(2-methylphenyl)-N-undecylquinoline-4-carboxamide
CID 4162028
2-[(2E)-2-benzylidenehydrazinyl]-N-hexylquinoline-4-carboxamide
CID 24776773
2-(2,4-dimethylphenyl)-N-pentylquinoline-4-carboxamide
CID 4613424

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-pentylquinoline-2-carboxamide?
The IUPAC name of 4-bromo-N-pentylquinoline-2-carboxamide (CID 178088871) is 4-bromo-N-pentylquinoline-2-carboxamide.
What is the SMILES notation for 4-bromo-N-pentylquinoline-2-carboxamide?
The canonical SMILES for 4-bromo-N-pentylquinoline-2-carboxamide is CCCCCNC(=O)c1cc(Br)c2ccccc2n1.
What is the InChIKey of 4-bromo-N-pentylquinoline-2-carboxamide?
The InChIKey is BJABSVHGSZXYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-2-3-6-9-17-15(19)14-10-12(16)11-7-4-5-8-13(11)18-14/h4-5,7-8,10H,2-3,6,9H2,1H3,(H,17,19).
What are the key properties of 4-bromo-N-pentylquinoline-2-carboxamide?
4-bromo-N-pentylquinoline-2-carboxamide has a molecular weight of 321.22 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-pentylquinoline-2-carboxamide is sourced from PubChem (CID 178088871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).