methyl 4-methoxyquinoline-2-carboxylate

C12H11NO3 — CID 523521

IUPACmethyl 4-methoxyquinoline-2-carboxylate
SMILESCOC(=O)c1cc(OC)c2ccccc2n1
InChIInChI=1S/C12H11NO3/c1-15-11-7-10(12(14)16-2)13-9-6-4-3-5-8(9)11/h3-7H,1-2H3
InChIKeyBTVCFPOAOCFSJK-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.03
Rot. Bonds2

About methyl 4-methoxyquinoline-2-carboxylate

methyl 4-methoxyquinoline-2-carboxylate (PubChem CID 523521) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is methyl 4-methoxyquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methoxyquinoline-2-carboxylate
PubChem CID523521
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Namemethyl 4-methoxyquinoline-2-carboxylate
SMILESCOC(=O)c1cc(OC)c2ccccc2n1
InChIInChI=1S/C12H11NO3/c1-15-11-7-10(12(14)16-2)13-9-6-4-3-5-8(9)11/h3-7H,1-2H3
InChIKeyBTVCFPOAOCFSJK-UHFFFAOYSA-N
XLogP2.03
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxyquinoline-2-carboxylate?
The IUPAC name of methyl 4-methoxyquinoline-2-carboxylate (CID 523521) is methyl 4-methoxyquinoline-2-carboxylate.
What is the SMILES notation for methyl 4-methoxyquinoline-2-carboxylate?
The canonical SMILES for methyl 4-methoxyquinoline-2-carboxylate is COC(=O)c1cc(OC)c2ccccc2n1.
What is the InChIKey of methyl 4-methoxyquinoline-2-carboxylate?
The InChIKey is BTVCFPOAOCFSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-15-11-7-10(12(14)16-2)13-9-6-4-3-5-8(9)11/h3-7H,1-2H3.
What are the key properties of methyl 4-methoxyquinoline-2-carboxylate?
methyl 4-methoxyquinoline-2-carboxylate has a molecular weight of 217.22 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxyquinoline-2-carboxylate is sourced from PubChem (CID 523521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).