(2-chloro-6-methoxyquinolin-4-yl) acetate

C12H10ClNO3 — CID 174389484

IUPAC(2-chloro-6-methoxyquinolin-4-yl) acetate
SMILESCOc1ccc2nc(Cl)cc(OC(C)=O)c2c1
InChIInChI=1S/C12H10ClNO3/c1-7(15)17-11-6-12(13)14-10-4-3-8(16-2)5-9(10)11/h3-6H,1-2H3
InChIKeyKFWXGBJZTSKTDI-UHFFFAOYSA-N
MW251.67 g/mol
LogP2.82
Rot. Bonds2

About (2-chloro-6-methoxyquinolin-4-yl) acetate

(2-chloro-6-methoxyquinolin-4-yl) acetate (PubChem CID 174389484) has the molecular formula C12H10ClNO3 and a molecular weight of 251.67 g/mol. Its IUPAC name is (2-chloro-6-methoxyquinolin-4-yl) acetate.

Molecular Properties

Compound Name(2-chloro-6-methoxyquinolin-4-yl) acetate
PubChem CID174389484
Molecular FormulaC12H10ClNO3
Molecular Weight251.67 g/mol
Exact Mass251.03
IUPAC Name(2-chloro-6-methoxyquinolin-4-yl) acetate
SMILESCOc1ccc2nc(Cl)cc(OC(C)=O)c2c1
InChIInChI=1S/C12H10ClNO3/c1-7(15)17-11-6-12(13)14-10-4-3-8(16-2)5-9(10)11/h3-6H,1-2H3
InChIKeyKFWXGBJZTSKTDI-UHFFFAOYSA-N
XLogP2.82
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2,4-dichloroquinazolin-6-yl) acetate
CID 101166088
(6-methoxynaphthalen-1-yl) acetate
CID 11424471
(4-chloro-6-methoxyquinolin-3-yl)-(4-methoxyphenyl)methanone
CID 53491110
(2-chloroquinolin-7-yl) acetate
CID 174716501
1-(6-methoxy-4-methylquinolin-2-yl)ethanone
CID 82576202
4-chloro-6-methoxycinnoline-3-carboxylic acid
CID 83898135
[2-(2-acetyloxy-4-methoxybenzoyl)-5-methoxyphenyl] acetate
CID 121279078
phenyl 2,7-dimethoxyacridine-9-carboxylate
CID 19364944
[7-methoxy-3-(3-methylbutanoyl)naphthalen-1-yl] acetate
CID 68836301
[3-acetyloxy-4-[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenyl] acetate
CID 71324556
2-(4-chlorophenyl)-6-methoxy-3,1-benzoxazin-4-one
CID 71330911
6-chloro-2-(2,4-dimethoxyphenyl)quinoline-4-carboxylic acid
CID 138811121

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-methoxyquinolin-4-yl) acetate?
The IUPAC name of (2-chloro-6-methoxyquinolin-4-yl) acetate (CID 174389484) is (2-chloro-6-methoxyquinolin-4-yl) acetate.
What is the SMILES notation for (2-chloro-6-methoxyquinolin-4-yl) acetate?
The canonical SMILES for (2-chloro-6-methoxyquinolin-4-yl) acetate is COc1ccc2nc(Cl)cc(OC(C)=O)c2c1.
What is the InChIKey of (2-chloro-6-methoxyquinolin-4-yl) acetate?
The InChIKey is KFWXGBJZTSKTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO3/c1-7(15)17-11-6-12(13)14-10-4-3-8(16-2)5-9(10)11/h3-6H,1-2H3.
What are the key properties of (2-chloro-6-methoxyquinolin-4-yl) acetate?
(2-chloro-6-methoxyquinolin-4-yl) acetate has a molecular weight of 251.67 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-methoxyquinolin-4-yl) acetate is sourced from PubChem (CID 174389484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).