N-(4-chloro-2-methylbutyl)quinoline-2-carboxamide

C15H17ClN2O — CID 114306159

IUPACN-(4-chloro-2-methylbutyl)quinoline-2-carboxamide
SMILESCC(CCCl)CNC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C15H17ClN2O/c1-11(8-9-16)10-17-15(19)14-7-6-12-4-2-3-5-13(12)18-14/h2-7,11H,8-10H2,1H3,(H,17,19)
InChIKeyGSLNKBATYDKNAZ-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.23
Rot. Bonds5

About N-(4-chloro-2-methylbutyl)quinoline-2-carboxamide

N-(4-chloro-2-methylbutyl)quinoline-2-carboxamide (PubChem CID 114306159) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is N-(4-chloro-2-methylbutyl)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylbutyl)quinoline-2-carboxamide
PubChem CID114306159
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC NameN-(4-chloro-2-methylbutyl)quinoline-2-carboxamide
SMILESCC(CCCl)CNC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C15H17ClN2O/c1-11(8-9-16)10-17-15(19)14-7-6-12-4-2-3-5-13(12)18-14/h2-7,11H,8-10H2,1H3,(H,17,19)
InChIKeyGSLNKBATYDKNAZ-UHFFFAOYSA-N
XLogP3.23
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.23
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-(4-amino-2-methylbutyl)quinoline-2-carboxamide
CID 66089499
N-(2-chlorobutyl)quinoline-2-carboxamide
CID 113492870
N-(2-oxoethyl)quinoline-2-carboxamide
CID 134322736
N-(2-chloro-3-methoxypropyl)quinoline-2-carboxamide
CID 114298870
N-(1-chloro-4,4-dimethylpentan-3-yl)quinoline-2-carboxamide
CID 106355670
N-(2-phenylbutyl)quinoline-2-carboxamide
CID 46635493
N-(3-amino-2,2-dimethylpropyl)quinoline-2-carboxamide
CID 115365626
N-(4-chloro-1-methoxybutan-2-yl)quinoline-2-carboxamide
CID 106155760
N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide
CID 11603405
N-(5-methylhexan-2-yl)quinoline-2-carboxamide
CID 24554913
N-[2-(2-chloroethoxy)ethyl]quinoline-2-carboxamide
CID 114297702
3-methoxy-4-(quinoline-2-carbonylamino)butanoic acid
CID 103152204

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylbutyl)quinoline-2-carboxamide?
The IUPAC name of N-(4-chloro-2-methylbutyl)quinoline-2-carboxamide (CID 114306159) is N-(4-chloro-2-methylbutyl)quinoline-2-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylbutyl)quinoline-2-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylbutyl)quinoline-2-carboxamide is CC(CCCl)CNC(=O)c1ccc2ccccc2n1.
What is the InChIKey of N-(4-chloro-2-methylbutyl)quinoline-2-carboxamide?
The InChIKey is GSLNKBATYDKNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-11(8-9-16)10-17-15(19)14-7-6-12-4-2-3-5-13(12)18-14/h2-7,11H,8-10H2,1H3,(H,17,19).
What are the key properties of N-(4-chloro-2-methylbutyl)quinoline-2-carboxamide?
N-(4-chloro-2-methylbutyl)quinoline-2-carboxamide has a molecular weight of 276.77 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylbutyl)quinoline-2-carboxamide is sourced from PubChem (CID 114306159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).