2-chloro-N-quinolin-6-ylacetamide

C11H9ClN2O — CID 3144388

IUPAC2-chloro-N-quinolin-6-ylacetamide
SMILESO=C(CCl)Nc1ccc2ncccc2c1
InChIInChI=1S/C11H9ClN2O/c12-7-11(15)14-9-3-4-10-8(6-9)2-1-5-13-10/h1-6H,7H2,(H,14,15)
InChIKeyKIDJEPGWKAUPNX-UHFFFAOYSA-N
MW220.66 g/mol
LogP2.41
Rot. Bonds2

About 2-chloro-N-quinolin-6-ylacetamide

2-chloro-N-quinolin-6-ylacetamide (PubChem CID 3144388) has the molecular formula C11H9ClN2O and a molecular weight of 220.66 g/mol. Its IUPAC name is 2-chloro-N-quinolin-6-ylacetamide.

Molecular Properties

Compound Name2-chloro-N-quinolin-6-ylacetamide
PubChem CID3144388
Molecular FormulaC11H9ClN2O
Molecular Weight220.66 g/mol
Exact Mass220.04
IUPAC Name2-chloro-N-quinolin-6-ylacetamide
SMILESO=C(CCl)Nc1ccc2ncccc2c1
InChIInChI=1S/C11H9ClN2O/c12-7-11(15)14-9-3-4-10-8(6-9)2-1-5-13-10/h1-6H,7H2,(H,14,15)
InChIKeyKIDJEPGWKAUPNX-UHFFFAOYSA-N
XLogP2.41
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 52.41
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,N'-di(quinolin-6-yl)propanediamide
CID 2837594
5-chloro-N-quinolin-6-ylpentanamide
CID 55097309
2-(cyclopropylmethylamino)-N-quinolin-6-ylacetamide
CID 62634785
N-quinolin-6-ylbenzamide
CID 833617
N-(3-chloro-4-methylphenyl)-2-quinolin-6-yloxyacetamide
CID 112978684
(3R)-3-methyl-N'-quinolin-6-ylpentanediamide
CID 173104431
6-amino-4,4-dimethyl-N-quinolin-6-ylhexanamide
CID 65291463
2-amino-2-ethyl-N-quinolin-6-ylbutanamide
CID 79814610
N-(4-methoxyphenyl)-2-quinolin-6-yloxyacetamide
CID 112978693
2-amino-2-methyl-N-quinolin-6-ylpropanamide
CID 62636163
5-chloro-N-quinolin-6-ylpyrazine-2-carboxamide
CID 103803742
N-quinolin-6-yl-1,3-thiazole-4-carboxamide
CID 63047708

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-quinolin-6-ylacetamide?
The IUPAC name of 2-chloro-N-quinolin-6-ylacetamide (CID 3144388) is 2-chloro-N-quinolin-6-ylacetamide.
What is the SMILES notation for 2-chloro-N-quinolin-6-ylacetamide?
The canonical SMILES for 2-chloro-N-quinolin-6-ylacetamide is O=C(CCl)Nc1ccc2ncccc2c1.
What is the InChIKey of 2-chloro-N-quinolin-6-ylacetamide?
The InChIKey is KIDJEPGWKAUPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O/c12-7-11(15)14-9-3-4-10-8(6-9)2-1-5-13-10/h1-6H,7H2,(H,14,15).
What are the key properties of 2-chloro-N-quinolin-6-ylacetamide?
2-chloro-N-quinolin-6-ylacetamide has a molecular weight of 220.66 g/mol, XLogP of 2.41, 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-6-ylacetamide is sourced from PubChem (CID 3144388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).