dimethyl 8-methylquinoline-3,6-dicarboxylate

C14H13NO4 — CID 164676656

IUPACdimethyl 8-methylquinoline-3,6-dicarboxylate
SMILESCOC(=O)c1cnc2c(C)cc(C(=O)OC)cc2c1
InChIInChI=1S/C14H13NO4/c1-8-4-10(13(16)18-2)5-9-6-11(14(17)19-3)7-15-12(8)9/h4-7H,1-3H3
InChIKeyHWXKTGLZWIAFFD-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.12
Rot. Bonds2

About dimethyl 8-methylquinoline-3,6-dicarboxylate

dimethyl 8-methylquinoline-3,6-dicarboxylate (PubChem CID 164676656) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is dimethyl 8-methylquinoline-3,6-dicarboxylate.

Molecular Properties

Compound Namedimethyl 8-methylquinoline-3,6-dicarboxylate
PubChem CID164676656
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Namedimethyl 8-methylquinoline-3,6-dicarboxylate
SMILESCOC(=O)c1cnc2c(C)cc(C(=O)OC)cc2c1
InChIInChI=1S/C14H13NO4/c1-8-4-10(13(16)18-2)5-9-6-11(14(17)19-3)7-15-12(8)9/h4-7H,1-3H3
InChIKeyHWXKTGLZWIAFFD-UHFFFAOYSA-N
XLogP2.12
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-cyclopropyl-8-methylquinoline-6-carboxylate
CID 165133811
methyl 6-(hydroxymethyl)-5-methylpyridine-3-carboxylate
CID 127263097
ethane;methyl 6-chloro-5-methylpyridine-3-carboxylate
CID 170617619
methyl 6-bromo-8-fluoroquinoline-3-carboxylate
CID 138106125
methyl 5-methyl-6-methylsulfanylpyridine-3-carboxylate
CID 102544528
methyl 8-cyano-3-methylquinoline-6-carboxylate
CID 15965451
ethane;methyl 3-chloro-8-fluoroquinoline-6-carboxylate
CID 145002118
methyl 2-fluoro-8-methoxy-3-methylquinoline-6-carboxylate
CID 156896227
methyl 7,8-dimethoxyquinoline-3-carboxylate
CID 166736815
methyl 6-chloro-7-(difluoromethoxy)-8-methylquinoline-3-carboxylate
CID 129247510
methyl 6-(dipropylamino)-5-methylpyridine-3-carboxylate
CID 102544682
3-methoxy-5-methoxycarbonylpyridine-2-carboxylic acid
CID 22923874

Frequently Asked Questions

What is the IUPAC name of dimethyl 8-methylquinoline-3,6-dicarboxylate?
The IUPAC name of dimethyl 8-methylquinoline-3,6-dicarboxylate (CID 164676656) is dimethyl 8-methylquinoline-3,6-dicarboxylate.
What is the SMILES notation for dimethyl 8-methylquinoline-3,6-dicarboxylate?
The canonical SMILES for dimethyl 8-methylquinoline-3,6-dicarboxylate is COC(=O)c1cnc2c(C)cc(C(=O)OC)cc2c1.
What is the InChIKey of dimethyl 8-methylquinoline-3,6-dicarboxylate?
The InChIKey is HWXKTGLZWIAFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-8-4-10(13(16)18-2)5-9-6-11(14(17)19-3)7-15-12(8)9/h4-7H,1-3H3.
What are the key properties of dimethyl 8-methylquinoline-3,6-dicarboxylate?
dimethyl 8-methylquinoline-3,6-dicarboxylate has a molecular weight of 259.26 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 8-methylquinoline-3,6-dicarboxylate is sourced from PubChem (CID 164676656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).