methyl 4-chloroquinoline-6-carboxylate

C11H8ClNO2 — CID 58441390

IUPACmethyl 4-chloroquinoline-6-carboxylate
SMILESCOC(=O)c1ccc2nccc(Cl)c2c1
InChIInChI=1S/C11H8ClNO2/c1-15-11(14)7-2-3-10-8(6-7)9(12)4-5-13-10/h2-6H,1H3
InChIKeyLGAFXSKTJPIZMQ-UHFFFAOYSA-N
MW221.64 g/mol
LogP2.67
Rot. Bonds1

About methyl 4-chloroquinoline-6-carboxylate

methyl 4-chloroquinoline-6-carboxylate (PubChem CID 58441390) has the molecular formula C11H8ClNO2 and a molecular weight of 221.64 g/mol. Its IUPAC name is methyl 4-chloroquinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloroquinoline-6-carboxylate
PubChem CID58441390
Molecular FormulaC11H8ClNO2
Molecular Weight221.64 g/mol
Exact Mass221.02
IUPAC Namemethyl 4-chloroquinoline-6-carboxylate
SMILESCOC(=O)c1ccc2nccc(Cl)c2c1
InChIInChI=1S/C11H8ClNO2/c1-15-11(14)7-2-3-10-8(6-7)9(12)4-5-13-10/h2-6H,1H3
InChIKeyLGAFXSKTJPIZMQ-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

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Frequently Asked Questions

What is the IUPAC name of methyl 4-chloroquinoline-6-carboxylate?
The IUPAC name of methyl 4-chloroquinoline-6-carboxylate (CID 58441390) is methyl 4-chloroquinoline-6-carboxylate.
What is the SMILES notation for methyl 4-chloroquinoline-6-carboxylate?
The canonical SMILES for methyl 4-chloroquinoline-6-carboxylate is COC(=O)c1ccc2nccc(Cl)c2c1.
What is the InChIKey of methyl 4-chloroquinoline-6-carboxylate?
The InChIKey is LGAFXSKTJPIZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO2/c1-15-11(14)7-2-3-10-8(6-7)9(12)4-5-13-10/h2-6H,1H3.
What are the key properties of methyl 4-chloroquinoline-6-carboxylate?
methyl 4-chloroquinoline-6-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 4-chloroquinoline-6-carboxylate is sourced from PubChem (CID 58441390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).