methyl quinoline-6-carboxylate

C11H9NO2 — CID 736812

IUPACmethyl quinoline-6-carboxylate
SMILESCOC(=O)c1ccc2ncccc2c1
InChIInChI=1S/C11H9NO2/c1-14-11(13)9-4-5-10-8(7-9)3-2-6-12-10/h2-7H,1H3
InChIKeyXSRWQTDEIOHXSL-UHFFFAOYSA-N
MW187.20 g/mol
LogP2.02
Rot. Bonds1

About methyl quinoline-6-carboxylate

methyl quinoline-6-carboxylate (PubChem CID 736812) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is methyl quinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl quinoline-6-carboxylate
PubChem CID736812
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Namemethyl quinoline-6-carboxylate
SMILESCOC(=O)c1ccc2ncccc2c1
InChIInChI=1S/C11H9NO2/c1-14-11(13)9-4-5-10-8(7-9)3-2-6-12-10/h2-7H,1H3
InChIKeyXSRWQTDEIOHXSL-UHFFFAOYSA-N
XLogP2.02
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Neocinchophen
CID 68089
4-Quinolinecarboxylic acid
CID 10243
methyl 1H-indole-5-carboxylate
CID 2737635
Quinoline-3-carboxylic acid
CID 80971
2,6-Dimethylquinoline-3-carboxylic acid
CID 3159812
8-Quinolinecarboxylic acid
CID 66582
Methyl 6-quinoxalinecarboxylate
CID 2781239
6-Quinolinecarboxylic acid
CID 82571
Isoquinoline-5-carboxylic acid
CID 260936
2-(Pyridin-2-yl)quinoline-4-carboxylic acid
CID 24103
Methyl isoquinoline-5-carboxylate
CID 313259
Methyl 3-isoquinolinecarboxylate
CID 725374

Frequently Asked Questions

What is the IUPAC name of methyl quinoline-6-carboxylate?
The IUPAC name of methyl quinoline-6-carboxylate (CID 736812) is methyl quinoline-6-carboxylate.
What is the SMILES notation for methyl quinoline-6-carboxylate?
The canonical SMILES for methyl quinoline-6-carboxylate is COC(=O)c1ccc2ncccc2c1.
What is the InChIKey of methyl quinoline-6-carboxylate?
The InChIKey is XSRWQTDEIOHXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c1-14-11(13)9-4-5-10-8(7-9)3-2-6-12-10/h2-7H,1H3.
What are the key properties of methyl quinoline-6-carboxylate?
methyl quinoline-6-carboxylate has a molecular weight of 187.20 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl quinoline-6-carboxylate is sourced from PubChem (CID 736812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).