N-(3-bromobutyl)quinoline-6-carboxamide

C14H15BrN2O — CID 113275206

IUPACN-(3-bromobutyl)quinoline-6-carboxamide
SMILESCC(Br)CCNC(=O)c1ccc2ncccc2c1
InChIInChI=1S/C14H15BrN2O/c1-10(15)6-8-17-14(18)12-4-5-13-11(9-12)3-2-7-16-13/h2-5,7,9-10H,6,8H2,1H3,(H,17,18)
InChIKeyOAGQVPAYKMFVHY-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.14
Rot. Bonds4

About N-(3-bromobutyl)quinoline-6-carboxamide

N-(3-bromobutyl)quinoline-6-carboxamide (PubChem CID 113275206) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is N-(3-bromobutyl)quinoline-6-carboxamide.

Molecular Properties

Compound NameN-(3-bromobutyl)quinoline-6-carboxamide
PubChem CID113275206
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC NameN-(3-bromobutyl)quinoline-6-carboxamide
SMILESCC(Br)CCNC(=O)c1ccc2ncccc2c1
InChIInChI=1S/C14H15BrN2O/c1-10(15)6-8-17-14(18)12-4-5-13-11(9-12)3-2-7-16-13/h2-5,7,9-10H,6,8H2,1H3,(H,17,18)
InChIKeyOAGQVPAYKMFVHY-UHFFFAOYSA-N
XLogP3.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.14
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-chloroethyl)quinoline-6-carboxamide
CID 62874874
N-octylquinoline-6-carboxamide
CID 68863650
2-methyl-3-(quinoline-6-carbonylamino)propanoic acid
CID 55126598
N-(3-cyanopropyl)quinoline-6-carboxamide
CID 55126884
N-(3-amino-2-methylpropyl)quinoline-6-carboxamide
CID 55126976
N-(2-ethylbutyl)quinoline-6-carboxamide
CID 115613111
N-(2-phenylethyl)quinoline-6-carboxamide
CID 2823262
N-(3-amino-2-methyl-3-sulfanylidenepropyl)quinoline-6-carboxamide
CID 62851157
N-(2-chlorobutyl)quinoline-6-carboxamide
CID 113492848
N-(4-hydroxy-2,2-dimethylpentyl)quinoline-6-carboxamide
CID 111480649
N-(1-aminopropan-2-yl)quinoline-6-carboxamide
CID 63730919
N-[[3-(2-methylpropyl)phenyl]methyl]quinoline-6-carboxamide
CID 58387959

Frequently Asked Questions

What is the IUPAC name of N-(3-bromobutyl)quinoline-6-carboxamide?
The IUPAC name of N-(3-bromobutyl)quinoline-6-carboxamide (CID 113275206) is N-(3-bromobutyl)quinoline-6-carboxamide.
What is the SMILES notation for N-(3-bromobutyl)quinoline-6-carboxamide?
The canonical SMILES for N-(3-bromobutyl)quinoline-6-carboxamide is CC(Br)CCNC(=O)c1ccc2ncccc2c1.
What is the InChIKey of N-(3-bromobutyl)quinoline-6-carboxamide?
The InChIKey is OAGQVPAYKMFVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-10(15)6-8-17-14(18)12-4-5-13-11(9-12)3-2-7-16-13/h2-5,7,9-10H,6,8H2,1H3,(H,17,18).
What are the key properties of N-(3-bromobutyl)quinoline-6-carboxamide?
N-(3-bromobutyl)quinoline-6-carboxamide has a molecular weight of 307.19 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromobutyl)quinoline-6-carboxamide is sourced from PubChem (CID 113275206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).