dimethyl 4-methylquinoline-2,3-dicarboxylate

C14H13NO4 — CID 4314285

IUPACdimethyl 4-methylquinoline-2,3-dicarboxylate
SMILESCOC(=O)c1nc2ccccc2c(C)c1C(=O)OC
InChIInChI=1S/C14H13NO4/c1-8-9-6-4-5-7-10(9)15-12(14(17)19-3)11(8)13(16)18-2/h4-7H,1-3H3
InChIKeyDDGYJSFQHGMAKZ-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.12
Rot. Bonds2

About dimethyl 4-methylquinoline-2,3-dicarboxylate

dimethyl 4-methylquinoline-2,3-dicarboxylate (PubChem CID 4314285) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is dimethyl 4-methylquinoline-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-methylquinoline-2,3-dicarboxylate
PubChem CID4314285
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Namedimethyl 4-methylquinoline-2,3-dicarboxylate
SMILESCOC(=O)c1nc2ccccc2c(C)c1C(=O)OC
InChIInChI=1S/C14H13NO4/c1-8-9-6-4-5-7-10(9)15-12(14(17)19-3)11(8)13(16)18-2/h4-7H,1-3H3
InChIKeyDDGYJSFQHGMAKZ-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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Frequently Asked Questions

What is the IUPAC name of dimethyl 4-methylquinoline-2,3-dicarboxylate?
The IUPAC name of dimethyl 4-methylquinoline-2,3-dicarboxylate (CID 4314285) is dimethyl 4-methylquinoline-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 4-methylquinoline-2,3-dicarboxylate?
The canonical SMILES for dimethyl 4-methylquinoline-2,3-dicarboxylate is COC(=O)c1nc2ccccc2c(C)c1C(=O)OC.
What is the InChIKey of dimethyl 4-methylquinoline-2,3-dicarboxylate?
The InChIKey is DDGYJSFQHGMAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-8-9-6-4-5-7-10(9)15-12(14(17)19-3)11(8)13(16)18-2/h4-7H,1-3H3.
What are the key properties of dimethyl 4-methylquinoline-2,3-dicarboxylate?
dimethyl 4-methylquinoline-2,3-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 4-methylquinoline-2,3-dicarboxylate is sourced from PubChem (CID 4314285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).