methyl 2-(2-chloroquinolin-4-yl)acetate

C12H10ClNO2 — CID 15185779

IUPACmethyl 2-(2-chloroquinolin-4-yl)acetate
SMILESCOC(=O)Cc1cc(Cl)nc2ccccc12
InChIInChI=1S/C12H10ClNO2/c1-16-12(15)7-8-6-11(13)14-10-5-3-2-4-9(8)10/h2-6H,7H2,1H3
InChIKeyDEKMOGNNUXUIIW-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.60
Rot. Bonds2

About methyl 2-(2-chloroquinolin-4-yl)acetate

methyl 2-(2-chloroquinolin-4-yl)acetate (PubChem CID 15185779) has the molecular formula C12H10ClNO2 and a molecular weight of 235.67 g/mol. Its IUPAC name is methyl 2-(2-chloroquinolin-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-chloroquinolin-4-yl)acetate
PubChem CID15185779
Molecular FormulaC12H10ClNO2
Molecular Weight235.67 g/mol
Exact Mass235.04
IUPAC Namemethyl 2-(2-chloroquinolin-4-yl)acetate
SMILESCOC(=O)Cc1cc(Cl)nc2ccccc12
InChIInChI=1S/C12H10ClNO2/c1-16-12(15)7-8-6-11(13)14-10-5-3-2-4-9(8)10/h2-6H,7H2,1H3
InChIKeyDEKMOGNNUXUIIW-UHFFFAOYSA-N
XLogP2.60
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.60
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

2-Chloroquinoline-4-carboxylic acid
CID 230582
6-Chloro-2-methyl-4-phenylquinoline-3-carboxylic acid
CID 626798
Methyl 2-chloroquinoline-4-carboxylate
CID 5202936
2-Chloroquinoline-3-carboxylic acid
CID 847163
Ethyl 6-chloro-2-methyl-4-phenylquinoline-3-carboxylate
CID 629761
Ethyl 2,4-dichloroquinoline-3-carboxylate
CID 228269
(2s)-2-(6-Chloro-2-Methyl-4-Phenylquinolin-3-Yl)pentanoic Acid
CID 45281242
2-(6-Chloro-2-methyl-4-phenylquinolin-3-yl)pentanoic acid
CID 24800940
Ethyl 2-(chloromethyl)-4-methylquinoline-3-carboxylate--hydrogen chloride (1/1)
CID 16196351
6-Chloro-2-methylquinoline-3-carboxylic acid
CID 3667375
Methyl 2-(quinolin-2-yl)acetate
CID 10608140
Methyl 2-chloroquinoline-3-carboxylate
CID 10966076

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-chloroquinolin-4-yl)acetate?
The IUPAC name of methyl 2-(2-chloroquinolin-4-yl)acetate (CID 15185779) is methyl 2-(2-chloroquinolin-4-yl)acetate.
What is the SMILES notation for methyl 2-(2-chloroquinolin-4-yl)acetate?
The canonical SMILES for methyl 2-(2-chloroquinolin-4-yl)acetate is COC(=O)Cc1cc(Cl)nc2ccccc12.
What is the InChIKey of methyl 2-(2-chloroquinolin-4-yl)acetate?
The InChIKey is DEKMOGNNUXUIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2/c1-16-12(15)7-8-6-11(13)14-10-5-3-2-4-9(8)10/h2-6H,7H2,1H3.
What are the key properties of methyl 2-(2-chloroquinolin-4-yl)acetate?
methyl 2-(2-chloroquinolin-4-yl)acetate has a molecular weight of 235.67 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-chloroquinolin-4-yl)acetate is sourced from PubChem (CID 15185779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).