(2-chloroquinolin-7-yl) acetate

C11H8ClNO2 — CID 174716501

IUPAC(2-chloroquinolin-7-yl) acetate
SMILESCC(=O)Oc1ccc2ccc(Cl)nc2c1
InChIInChI=1S/C11H8ClNO2/c1-7(14)15-9-4-2-8-3-5-11(12)13-10(8)6-9/h2-6H,1H3
InChIKeyYCKVSQQMRHQQDU-UHFFFAOYSA-N
MW221.64 g/mol
LogP2.81
Rot. Bonds1

About (2-chloroquinolin-7-yl) acetate

(2-chloroquinolin-7-yl) acetate (PubChem CID 174716501) has the molecular formula C11H8ClNO2 and a molecular weight of 221.64 g/mol. Its IUPAC name is (2-chloroquinolin-7-yl) acetate.

Molecular Properties

Compound Name(2-chloroquinolin-7-yl) acetate
PubChem CID174716501
Molecular FormulaC11H8ClNO2
Molecular Weight221.64 g/mol
Exact Mass221.02
IUPAC Name(2-chloroquinolin-7-yl) acetate
SMILESCC(=O)Oc1ccc2ccc(Cl)nc2c1
InChIInChI=1S/C11H8ClNO2/c1-7(14)15-9-4-2-8-3-5-11(12)13-10(8)6-9/h2-6H,1H3
InChIKeyYCKVSQQMRHQQDU-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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2-methylquinolin-7-yl) acetate
CID 119085937
(2,4-dichloroquinazolin-6-yl) acetate
CID 101166088
(4-chloro-3-hydroxyphenyl) acetate
CID 11052361
quinoxalino[2,3-a]phenazin-3-yl acetate
CID 15249326
(4-chlorophenyl) acetate
CID 13410
(2-chloro-6-methoxyquinolin-4-yl) acetate
CID 174389484
(6-hydroxyanthracen-2-yl) acetate
CID 58800514
(2-chloro-6-methyl-4-pyridinyl) acetate
CID 174361244
ethyl 2-chloroquinoline-7-carboxylate
CID 72942632
2-chloroquinolin-7-ol
CID 135427710
methyl 6-acetyloxyquinoline-2-carboxylate
CID 90723488
(2-amino-6-chloro-3-pyridinyl) acetate
CID 143445346

Frequently Asked Questions

What is the IUPAC name of (2-chloroquinolin-7-yl) acetate?
The IUPAC name of (2-chloroquinolin-7-yl) acetate (CID 174716501) is (2-chloroquinolin-7-yl) acetate.
What is the SMILES notation for (2-chloroquinolin-7-yl) acetate?
The canonical SMILES for (2-chloroquinolin-7-yl) acetate is CC(=O)Oc1ccc2ccc(Cl)nc2c1.
What is the InChIKey of (2-chloroquinolin-7-yl) acetate?
The InChIKey is YCKVSQQMRHQQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO2/c1-7(14)15-9-4-2-8-3-5-11(12)13-10(8)6-9/h2-6H,1H3.
What are the key properties of (2-chloroquinolin-7-yl) acetate?
(2-chloroquinolin-7-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-7-yl) acetate is sourced from PubChem (CID 174716501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).