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

C14H15ClN2O — CID 113492870

IUPACN-(2-chlorobutyl)quinoline-2-carboxamide
SMILESCCC(Cl)CNC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C14H15ClN2O/c1-2-11(15)9-16-14(18)13-8-7-10-5-3-4-6-12(10)17-13/h3-8,11H,2,9H2,1H3,(H,16,18)
InChIKeyCFPCUNYQGPLEMQ-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.98
Rot. Bonds4

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

N-(2-chlorobutyl)quinoline-2-carboxamide (PubChem CID 113492870) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is N-(2-chlorobutyl)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(2-chlorobutyl)quinoline-2-carboxamide
PubChem CID113492870
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC NameN-(2-chlorobutyl)quinoline-2-carboxamide
SMILESCCC(Cl)CNC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C14H15ClN2O/c1-2-11(15)9-16-14(18)13-8-7-10-5-3-4-6-12(10)17-13/h3-8,11H,2,9H2,1H3,(H,16,18)
InChIKeyCFPCUNYQGPLEMQ-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-chloro-3-methoxypropyl)quinoline-2-carboxamide
CID 114298870
N-(2-phenylbutyl)quinoline-2-carboxamide
CID 46635493
N-(4-chloro-2-methylbutyl)quinoline-2-carboxamide
CID 114306159
N-(3-amino-2,2-dimethylpropyl)quinoline-2-carboxamide
CID 115365626
N-(4-amino-2-methylbutyl)quinoline-2-carboxamide
CID 66089499
N-(2-oxoethyl)quinoline-2-carboxamide
CID 134322736
N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide
CID 11603405
N-[2-(ethylamino)-2-oxoethyl]quinoline-2-carboxamide
CID 9224319
3-methoxy-4-(quinoline-2-carbonylamino)butanoic acid
CID 103152204
N-[6-(quinoline-2-carbonylamino)hexyl]quinoline-2-carboxamide
CID 139197064
N-(2-hydroxy-2-methylbutyl)quinoline-2-carboxamide
CID 65115019
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]quinoline-2-carboxamide
CID 2474991

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorobutyl)quinoline-2-carboxamide?
The IUPAC name of N-(2-chlorobutyl)quinoline-2-carboxamide (CID 113492870) is N-(2-chlorobutyl)quinoline-2-carboxamide.
What is the SMILES notation for N-(2-chlorobutyl)quinoline-2-carboxamide?
The canonical SMILES for N-(2-chlorobutyl)quinoline-2-carboxamide is CCC(Cl)CNC(=O)c1ccc2ccccc2n1.
What is the InChIKey of N-(2-chlorobutyl)quinoline-2-carboxamide?
The InChIKey is CFPCUNYQGPLEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-2-11(15)9-16-14(18)13-8-7-10-5-3-4-6-12(10)17-13/h3-8,11H,2,9H2,1H3,(H,16,18).
What are the key properties of N-(2-chlorobutyl)quinoline-2-carboxamide?
N-(2-chlorobutyl)quinoline-2-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-2-carboxamide is sourced from PubChem (CID 113492870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).