N-(2-chlorobutyl)quinoline-6-carboxamide

C14H15ClN2O — CID 113492848

IUPACN-(2-chlorobutyl)quinoline-6-carboxamide
SMILESCCC(Cl)CNC(=O)c1ccc2ncccc2c1
InChIInChI=1S/C14H15ClN2O/c1-2-12(15)9-17-14(18)11-5-6-13-10(8-11)4-3-7-16-13/h3-8,12H,2,9H2,1H3,(H,17,18)
InChIKeyJCWPIIMKQGBHPE-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.98
Rot. Bonds4

About N-(2-chlorobutyl)quinoline-6-carboxamide

N-(2-chlorobutyl)quinoline-6-carboxamide (PubChem CID 113492848) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is N-(2-chlorobutyl)quinoline-6-carboxamide.

Molecular Properties

Compound NameN-(2-chlorobutyl)quinoline-6-carboxamide
PubChem CID113492848
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC NameN-(2-chlorobutyl)quinoline-6-carboxamide
SMILESCCC(Cl)CNC(=O)c1ccc2ncccc2c1
InChIInChI=1S/C14H15ClN2O/c1-2-12(15)9-17-14(18)11-5-6-13-10(8-11)4-3-7-16-13/h3-8,12H,2,9H2,1H3,(H,17,18)
InChIKeyJCWPIIMKQGBHPE-UHFFFAOYSA-N
XLogP2.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.98
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-ethylbutyl)quinoline-6-carboxamide
CID 115613111
N-(2-chloro-2-cyclopropylethyl)quinoline-6-carboxamide
CID 113273458
2-methyl-3-(quinoline-6-carbonylamino)propanoic acid
CID 55126598
N-(3-amino-2-methylpropyl)quinoline-6-carboxamide
CID 55126976
N-(3-amino-2-hydroxy-3-oxopropyl)quinoline-6-carboxamide
CID 107261247
N-(3-amino-2-methyl-3-sulfanylidenepropyl)quinoline-6-carboxamide
CID 62851157
N-(2-chloroethyl)quinoline-6-carboxamide
CID 62874874
N-(3,3,3-trifluoro-2-hydroxypropyl)quinoline-6-carboxamide
CID 103726459
2-(quinoline-6-carbonylamino)butanoic acid
CID 62848486
N-octylquinoline-6-carboxamide
CID 68863650
N-[2-(chloromethyl)-2-ethylbutyl]quinoline-6-carboxamide
CID 106253497
N-(3-bromobutyl)quinoline-6-carboxamide
CID 113275206

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorobutyl)quinoline-6-carboxamide?
The IUPAC name of N-(2-chlorobutyl)quinoline-6-carboxamide (CID 113492848) is N-(2-chlorobutyl)quinoline-6-carboxamide.
What is the SMILES notation for N-(2-chlorobutyl)quinoline-6-carboxamide?
The canonical SMILES for N-(2-chlorobutyl)quinoline-6-carboxamide is CCC(Cl)CNC(=O)c1ccc2ncccc2c1.
What is the InChIKey of N-(2-chlorobutyl)quinoline-6-carboxamide?
The InChIKey is JCWPIIMKQGBHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-2-12(15)9-17-14(18)11-5-6-13-10(8-11)4-3-7-16-13/h3-8,12H,2,9H2,1H3,(H,17,18).
What are the key properties of N-(2-chlorobutyl)quinoline-6-carboxamide?
N-(2-chlorobutyl)quinoline-6-carboxamide has a molecular weight of 262.74 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorobutyl)quinoline-6-carboxamide is sourced from PubChem (CID 113492848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).