methyl 2-chloroquinoline-3-carboxylate

C11H8ClNO2 — CID 10966076

IUPACmethyl 2-chloroquinoline-3-carboxylate
SMILESCOC(=O)c1cc2ccccc2nc1Cl
InChIInChI=1S/C11H8ClNO2/c1-15-11(14)8-6-7-4-2-3-5-9(7)13-10(8)12/h2-6H,1H3
InChIKeyOVPJNOFBMQEIGW-UHFFFAOYSA-N
MW221.64 g/mol
LogP2.67
Rot. Bonds1

About methyl 2-chloroquinoline-3-carboxylate

methyl 2-chloroquinoline-3-carboxylate (PubChem CID 10966076) has the molecular formula C11H8ClNO2 and a molecular weight of 221.64 g/mol. Its IUPAC name is methyl 2-chloroquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-chloroquinoline-3-carboxylate
PubChem CID10966076
Molecular FormulaC11H8ClNO2
Molecular Weight221.64 g/mol
Exact Mass221.02
IUPAC Namemethyl 2-chloroquinoline-3-carboxylate
SMILESCOC(=O)c1cc2ccccc2nc1Cl
InChIInChI=1S/C11H8ClNO2/c1-15-11(14)8-6-7-4-2-3-5-9(7)13-10(8)12/h2-6H,1H3
InChIKeyOVPJNOFBMQEIGW-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
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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Frequently Asked Questions

What is the IUPAC name of methyl 2-chloroquinoline-3-carboxylate?
The IUPAC name of methyl 2-chloroquinoline-3-carboxylate (CID 10966076) is methyl 2-chloroquinoline-3-carboxylate.
What is the SMILES notation for methyl 2-chloroquinoline-3-carboxylate?
The canonical SMILES for methyl 2-chloroquinoline-3-carboxylate is COC(=O)c1cc2ccccc2nc1Cl.
What is the InChIKey of methyl 2-chloroquinoline-3-carboxylate?
The InChIKey is OVPJNOFBMQEIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO2/c1-15-11(14)8-6-7-4-2-3-5-9(7)13-10(8)12/h2-6H,1H3.
What are the key properties of methyl 2-chloroquinoline-3-carboxylate?
methyl 2-chloroquinoline-3-carboxylate has a molecular weight of 221.64 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloroquinoline-3-carboxylate is sourced from PubChem (CID 10966076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).