N-(2-bromopentyl)quinoline-4-carboxamide

C15H17BrN2O — CID 113496524

IUPACN-(2-bromopentyl)quinoline-4-carboxamide
SMILESCCCC(Br)CNC(=O)c1ccnc2ccccc12
InChIInChI=1S/C15H17BrN2O/c1-2-5-11(16)10-18-15(19)13-8-9-17-14-7-4-3-6-12(13)14/h3-4,6-9,11H,2,5,10H2,1H3,(H,18,19)
InChIKeyWTYYXVJMCGERRR-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.53
Rot. Bonds5

About N-(2-bromopentyl)quinoline-4-carboxamide

N-(2-bromopentyl)quinoline-4-carboxamide (PubChem CID 113496524) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is N-(2-bromopentyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromopentyl)quinoline-4-carboxamide
PubChem CID113496524
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC NameN-(2-bromopentyl)quinoline-4-carboxamide
SMILESCCCC(Br)CNC(=O)c1ccnc2ccccc12
InChIInChI=1S/C15H17BrN2O/c1-2-5-11(16)10-18-15(19)13-8-9-17-14-7-4-3-6-12(13)14/h3-4,6-9,11H,2,5,10H2,1H3,(H,18,19)
InChIKeyWTYYXVJMCGERRR-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromobutyl)quinoline-4-carboxamide
CID 113492901
N-[2-(2-bromoethyl)pentyl]quinoline-5-carboxamide
CID 106118002
N-(2-amino-4-methylpentyl)quinoline-4-carboxamide
CID 107158826
N-(2-oxoethyl)quinoline-4-carboxamide
CID 138723013
N-pentan-3-ylquinoline-4-carboxamide
CID 78813506
3-methoxy-4-(quinoline-4-carbonylamino)butanoic acid
CID 103152989
N-[2-hydroxy-3-(2-methylpropoxy)propyl]quinoline-4-carboxamide
CID 111697647
N-(2,2-diethoxyethyl)quinoline-5-carboxamide
CID 79538723
N-(3-chloro-4-methoxybutyl)quinoline-4-carboxamide
CID 106244397
N-(3-iodopropyl)quinoline-4-carboxamide
CID 114504474
N-[3-(bromomethyl)pentan-3-yl]quinoline-4-carboxamide
CID 114315222
3-(quinoline-4-carbonylamino)butanoic acid
CID 81455717

Frequently Asked Questions

What is the IUPAC name of N-(2-bromopentyl)quinoline-4-carboxamide?
The IUPAC name of N-(2-bromopentyl)quinoline-4-carboxamide (CID 113496524) is N-(2-bromopentyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(2-bromopentyl)quinoline-4-carboxamide?
The canonical SMILES for N-(2-bromopentyl)quinoline-4-carboxamide is CCCC(Br)CNC(=O)c1ccnc2ccccc12.
What is the InChIKey of N-(2-bromopentyl)quinoline-4-carboxamide?
The InChIKey is WTYYXVJMCGERRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-2-5-11(16)10-18-15(19)13-8-9-17-14-7-4-3-6-12(13)14/h3-4,6-9,11H,2,5,10H2,1H3,(H,18,19).
What are the key properties of N-(2-bromopentyl)quinoline-4-carboxamide?
N-(2-bromopentyl)quinoline-4-carboxamide has a molecular weight of 321.22 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromopentyl)quinoline-4-carboxamide is sourced from PubChem (CID 113496524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).