(2-chloroquinolin-3-yl) acetate

C11H8ClNO2 — CID 175423972

IUPAC(2-chloroquinolin-3-yl) acetate
SMILESCC(=O)Oc1cc2ccccc2nc1Cl
InChIInChI=1S/C11H8ClNO2/c1-7(14)15-10-6-8-4-2-3-5-9(8)13-11(10)12/h2-6H,1H3
InChIKeyWVZFYYIDYQXFEA-UHFFFAOYSA-N
MW221.64 g/mol
LogP2.81
Rot. Bonds1

About (2-chloroquinolin-3-yl) acetate

(2-chloroquinolin-3-yl) acetate (PubChem CID 175423972) has the molecular formula C11H8ClNO2 and a molecular weight of 221.64 g/mol. Its IUPAC name is (2-chloroquinolin-3-yl) acetate.

Molecular Properties

Compound Name(2-chloroquinolin-3-yl) acetate
PubChem CID175423972
Molecular FormulaC11H8ClNO2
Molecular Weight221.64 g/mol
Exact Mass221.02
IUPAC Name(2-chloroquinolin-3-yl) acetate
SMILESCC(=O)Oc1cc2ccccc2nc1Cl
InChIInChI=1S/C11H8ClNO2/c1-7(14)15-10-6-8-4-2-3-5-9(8)13-11(10)12/h2-6H,1H3
InChIKeyWVZFYYIDYQXFEA-UHFFFAOYSA-N
XLogP2.81
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.64
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloroquinolin-3-yl)propan-2-one
CID 116985236
(2-methylquinolin-3-yl) hydrogen carbonate
CID 70380848
2-chloroquinolin-3-ol
CID 14616631
diethyl 2-[(2-chloroquinolin-3-yl)methylidene]propanedioate
CID 10426976
2-(4-acetyloxyphenyl)quinoline-3-carboxylic acid
CID 67205702
(2S,4R)-4-(2-chloroquinolin-3-yl)oxy-1-methylpyrrolidine-2-carboxylic acid;hydrochloride
CID 87195467
(4-acridin-2-ylphenyl) acetate
CID 139787124
(2-ethoxyquinolin-3-yl) hydrogen carbonate
CID 70534566
(3-bromoanthracen-2-yl) acetate
CID 89282630
2-(2-chloroquinolin-3-yl)propanoic acid
CID 116985221
(2-methoxyquinolin-3-yl) hydrogen carbonate
CID 70529555
methyl (2R)-2-amino-2-(2-chloroquinolin-3-yl)acetate;hydrochloride
CID 171234856

Frequently Asked Questions

What is the IUPAC name of (2-chloroquinolin-3-yl) acetate?
The IUPAC name of (2-chloroquinolin-3-yl) acetate (CID 175423972) is (2-chloroquinolin-3-yl) acetate.
What is the SMILES notation for (2-chloroquinolin-3-yl) acetate?
The canonical SMILES for (2-chloroquinolin-3-yl) acetate is CC(=O)Oc1cc2ccccc2nc1Cl.
What is the InChIKey of (2-chloroquinolin-3-yl) acetate?
The InChIKey is WVZFYYIDYQXFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO2/c1-7(14)15-10-6-8-4-2-3-5-9(8)13-11(10)12/h2-6H,1H3.
What are the key properties of (2-chloroquinolin-3-yl) acetate?
(2-chloroquinolin-3-yl) acetate has a molecular weight of 221.64 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloroquinolin-3-yl) acetate is sourced from PubChem (CID 175423972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).