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

C12H11ClN2O — CID 62874874

IUPACN-(2-chloroethyl)quinoline-6-carboxamide
SMILESO=C(NCCCl)c1ccc2ncccc2c1
InChIInChI=1S/C12H11ClN2O/c13-5-7-15-12(16)10-3-4-11-9(8-10)2-1-6-14-11/h1-4,6,8H,5,7H2,(H,15,16)
InChIKeyVWZUICVLHNUGJW-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.20
Rot. Bonds3

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

N-(2-chloroethyl)quinoline-6-carboxamide (PubChem CID 62874874) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is N-(2-chloroethyl)quinoline-6-carboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)quinoline-6-carboxamide
PubChem CID62874874
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC NameN-(2-chloroethyl)quinoline-6-carboxamide
SMILESO=C(NCCCl)c1ccc2ncccc2c1
InChIInChI=1S/C12H11ClN2O/c13-5-7-15-12(16)10-3-4-11-9(8-10)2-1-6-14-11/h1-4,6,8H,5,7H2,(H,15,16)
InChIKeyVWZUICVLHNUGJW-UHFFFAOYSA-N
XLogP2.20
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.20
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-phenylethyl)quinoline-6-carboxamide
CID 2823262
N-octylquinoline-6-carboxamide
CID 68863650
N-(3-cyanopropyl)quinoline-6-carboxamide
CID 55126884
N-(3-bromobutyl)quinoline-6-carboxamide
CID 113275206
N-[2-(chloromethyl)-2-ethylbutyl]quinoline-6-carboxamide
CID 106253497
N-[2-(cycloheptylamino)ethyl]quinoline-6-carboxamide;dihydrochloride
CID 119620989
N-(2-amino-2-sulfanylideneethyl)quinoline-6-carboxamide
CID 62850973
N-(2-chlorobutyl)quinoline-6-carboxamide
CID 113492848
N-(2-piperazin-1-ylethyl)quinoline-6-carboxamide
CID 62875225
N-(2-ethylbutyl)quinoline-6-carboxamide
CID 115613111
N-(2-chloro-2-cyclopropylethyl)quinoline-6-carboxamide
CID 113273458
N-[(3-chlorophenyl)methyl]quinoline-6-carboxamide
CID 23653724

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)quinoline-6-carboxamide?
The IUPAC name of N-(2-chloroethyl)quinoline-6-carboxamide (CID 62874874) is N-(2-chloroethyl)quinoline-6-carboxamide.
What is the SMILES notation for N-(2-chloroethyl)quinoline-6-carboxamide?
The canonical SMILES for N-(2-chloroethyl)quinoline-6-carboxamide is O=C(NCCCl)c1ccc2ncccc2c1.
What is the InChIKey of N-(2-chloroethyl)quinoline-6-carboxamide?
The InChIKey is VWZUICVLHNUGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c13-5-7-15-12(16)10-3-4-11-9(8-10)2-1-6-14-11/h1-4,6,8H,5,7H2,(H,15,16).
What are the key properties of N-(2-chloroethyl)quinoline-6-carboxamide?
N-(2-chloroethyl)quinoline-6-carboxamide has a molecular weight of 234.69 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)quinoline-6-carboxamide is sourced from PubChem (CID 62874874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).