2-chloro-N-quinolin-5-ylacetamide;hydrochloride

C11H10Cl2N2O — CID 155943918

IUPAC2-chloro-N-quinolin-5-ylacetamide;hydrochloride
SMILESCl.O=C(CCl)Nc1cccc2ncccc12
InChIInChI=1S/C11H9ClN2O.ClH/c12-7-11(15)14-10-5-1-4-9-8(10)3-2-6-13-9;/h1-6H,7H2,(H,14,15);1H
InChIKeyVUVDOOVIRQMSMA-UHFFFAOYSA-N
MW257.12 g/mol
LogP2.83
Rot. Bonds2

About 2-chloro-N-quinolin-5-ylacetamide;hydrochloride

2-chloro-N-quinolin-5-ylacetamide;hydrochloride (PubChem CID 155943918) has the molecular formula C11H10Cl2N2O and a molecular weight of 257.12 g/mol. Its IUPAC name is 2-chloro-N-quinolin-5-ylacetamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-N-quinolin-5-ylacetamide;hydrochloride
PubChem CID155943918
Molecular FormulaC11H10Cl2N2O
Molecular Weight257.12 g/mol
Exact Mass256.02
IUPAC Name2-chloro-N-quinolin-5-ylacetamide;hydrochloride
SMILESCl.O=C(CCl)Nc1cccc2ncccc12
InChIInChI=1S/C11H9ClN2O.ClH/c12-7-11(15)14-10-5-1-4-9-8(10)3-2-6-13-9;/h1-6H,7H2,(H,14,15);1H
InChIKeyVUVDOOVIRQMSMA-UHFFFAOYSA-N
XLogP2.83
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.12
LogP ≤ 52.83
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

2-(4-hydroxyphenyl)-N-quinolin-5-ylacetamide
CID 78838145
3,3-dimethyl-N-quinolin-5-ylbutanamide
CID 24654624
2-(4-chlorophenoxy)-N-quinolin-5-ylacetamide
CID 952570
N-quinolin-5-ylpyridine-2-carboxamide
CID 3985423
4-chloro-N-[3-oxo-3-(quinolin-5-ylamino)propyl]benzamide
CID 26888649
2,2-dimethyl-N-[2-oxo-2-(quinolin-5-ylamino)ethyl]propanamide
CID 86977886
2-(3-fluorophenyl)-N-quinolin-5-ylacetamide
CID 17391782
2-(prop-2-enylamino)-N-quinolin-5-ylacetamide
CID 112723293
methyl N-quinolin-5-ylcarbamate
CID 110734012
2-(benzhydrylamino)-N-quinolin-5-ylacetamide
CID 42126505
3-hydroxy-3-phenyl-N-quinolin-5-ylbutanamide
CID 110024307
2-(2,5-dichlorophenoxy)-N-quinolin-5-ylacetamide
CID 46664559

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-quinolin-5-ylacetamide;hydrochloride?
The IUPAC name of 2-chloro-N-quinolin-5-ylacetamide;hydrochloride (CID 155943918) is 2-chloro-N-quinolin-5-ylacetamide;hydrochloride.
What is the SMILES notation for 2-chloro-N-quinolin-5-ylacetamide;hydrochloride?
The canonical SMILES for 2-chloro-N-quinolin-5-ylacetamide;hydrochloride is Cl.O=C(CCl)Nc1cccc2ncccc12.
What is the InChIKey of 2-chloro-N-quinolin-5-ylacetamide;hydrochloride?
The InChIKey is VUVDOOVIRQMSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O.ClH/c12-7-11(15)14-10-5-1-4-9-8(10)3-2-6-13-9;/h1-6H,7H2,(H,14,15);1H.
What are the key properties of 2-chloro-N-quinolin-5-ylacetamide;hydrochloride?
2-chloro-N-quinolin-5-ylacetamide;hydrochloride has a molecular weight of 257.12 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-quinolin-5-ylacetamide;hydrochloride is sourced from PubChem (CID 155943918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).