methyl 8-cyano-3-methylquinoline-6-carboxylate

C13H10N2O2 — CID 15965451

IUPACmethyl 8-cyano-3-methylquinoline-6-carboxylate
SMILESCOC(=O)c1cc(C#N)c2ncc(C)cc2c1
InChIInChI=1S/C13H10N2O2/c1-8-3-9-4-10(13(16)17-2)5-11(6-14)12(9)15-7-8/h3-5,7H,1-2H3
InChIKeyRQICOXMEOLNEIU-UHFFFAOYSA-N
MW226.23 g/mol
LogP2.20
Rot. Bonds1

About methyl 8-cyano-3-methylquinoline-6-carboxylate

methyl 8-cyano-3-methylquinoline-6-carboxylate (PubChem CID 15965451) has the molecular formula C13H10N2O2 and a molecular weight of 226.23 g/mol. Its IUPAC name is methyl 8-cyano-3-methylquinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 8-cyano-3-methylquinoline-6-carboxylate
PubChem CID15965451
Molecular FormulaC13H10N2O2
Molecular Weight226.23 g/mol
Exact Mass226.07
IUPAC Namemethyl 8-cyano-3-methylquinoline-6-carboxylate
SMILESCOC(=O)c1cc(C#N)c2ncc(C)cc2c1
InChIInChI=1S/C13H10N2O2/c1-8-3-9-4-10(13(16)17-2)5-11(6-14)12(9)15-7-8/h3-5,7H,1-2H3
InChIKeyRQICOXMEOLNEIU-UHFFFAOYSA-N
XLogP2.20
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl 8-methylquinoline-3,6-dicarboxylate
CID 164676656
6-(hydroxymethyl)-3-methylquinoline-8-carbonitrile
CID 118665171
6-(chloromethyl)-3-methylquinoline-8-carbonitrile;methyl 2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxylate;methyl 2-methylpyridine-4-carboxylate
CID 159399810
ethane;methyl 5-cyano-6-methylpyridine-3-carboxylate
CID 164905739
methyl 3,5-dicyano-4-hydroxybenzoate
CID 155291053
methyl 5-cyano-6-iodopyridine-3-carboxylate
CID 164905377
6-(chloromethyl)-3-methylquinoline-8-carbonitrile;6-(hydroxymethyl)-3-methylquinoline-8-carbonitrile
CID 157272733
methyl 7-chloro-3-methylquinoline-8-carboxylate
CID 21278643
methyl 3-amino-5-cyano-4-methylbenzoate
CID 162342400
methyl 3-cyclopropyl-8-methylquinoline-6-carboxylate
CID 165133811
methyl 3-cyano-5-(hydroxymethyl)-4-methylbenzoate
CID 131490749
methyl 4-amino-3-cyano-5-(2-trimethylsilylethynyl)benzoate
CID 90355976

Frequently Asked Questions

What is the IUPAC name of methyl 8-cyano-3-methylquinoline-6-carboxylate?
The IUPAC name of methyl 8-cyano-3-methylquinoline-6-carboxylate (CID 15965451) is methyl 8-cyano-3-methylquinoline-6-carboxylate.
What is the SMILES notation for methyl 8-cyano-3-methylquinoline-6-carboxylate?
The canonical SMILES for methyl 8-cyano-3-methylquinoline-6-carboxylate is COC(=O)c1cc(C#N)c2ncc(C)cc2c1.
What is the InChIKey of methyl 8-cyano-3-methylquinoline-6-carboxylate?
The InChIKey is RQICOXMEOLNEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c1-8-3-9-4-10(13(16)17-2)5-11(6-14)12(9)15-7-8/h3-5,7H,1-2H3.
What are the key properties of methyl 8-cyano-3-methylquinoline-6-carboxylate?
methyl 8-cyano-3-methylquinoline-6-carboxylate has a molecular weight of 226.23 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-cyano-3-methylquinoline-6-carboxylate is sourced from PubChem (CID 15965451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).