4,6,7-trimethoxyquinoline-2,3-dicarboxylic acid

C14H13NO7 — CID 19021402

IUPAC4,6,7-trimethoxyquinoline-2,3-dicarboxylic acid
SMILESCOc1cc2nc(C(=O)O)c(C(=O)O)c(OC)c2cc1OC
InChIInChI=1S/C14H13NO7/c1-20-8-4-6-7(5-9(8)21-2)15-11(14(18)19)10(13(16)17)12(6)22-3/h4-5H,1-3H3,(H,16,17)(H,18,19)
InChIKeyFYTAAFHCUAHRQK-UHFFFAOYSA-N
MW307.26 g/mol
LogP1.66
Rot. Bonds5

About 4,6,7-trimethoxyquinoline-2,3-dicarboxylic acid

4,6,7-trimethoxyquinoline-2,3-dicarboxylic acid (PubChem CID 19021402) has the molecular formula C14H13NO7 and a molecular weight of 307.26 g/mol. Its IUPAC name is 4,6,7-trimethoxyquinoline-2,3-dicarboxylic acid.

Molecular Properties

Compound Name4,6,7-trimethoxyquinoline-2,3-dicarboxylic acid
PubChem CID19021402
Molecular FormulaC14H13NO7
Molecular Weight307.26 g/mol
Exact Mass307.07
IUPAC Name4,6,7-trimethoxyquinoline-2,3-dicarboxylic acid
SMILESCOc1cc2nc(C(=O)O)c(C(=O)O)c(OC)c2cc1OC
InChIInChI=1S/C14H13NO7/c1-20-8-4-6-7(5-9(8)21-2)15-11(14(18)19)10(13(16)17)12(6)22-3/h4-5H,1-3H3,(H,16,17)(H,18,19)
InChIKeyFYTAAFHCUAHRQK-UHFFFAOYSA-N
XLogP1.66
TPSA115.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.26
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,6,7-trimethoxyquinoline-2,3-dicarboxylic acid?
The IUPAC name of 4,6,7-trimethoxyquinoline-2,3-dicarboxylic acid (CID 19021402) is 4,6,7-trimethoxyquinoline-2,3-dicarboxylic acid.
What is the SMILES notation for 4,6,7-trimethoxyquinoline-2,3-dicarboxylic acid?
The canonical SMILES for 4,6,7-trimethoxyquinoline-2,3-dicarboxylic acid is COc1cc2nc(C(=O)O)c(C(=O)O)c(OC)c2cc1OC.
What is the InChIKey of 4,6,7-trimethoxyquinoline-2,3-dicarboxylic acid?
The InChIKey is FYTAAFHCUAHRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO7/c1-20-8-4-6-7(5-9(8)21-2)15-11(14(18)19)10(13(16)17)12(6)22-3/h4-5H,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 4,6,7-trimethoxyquinoline-2,3-dicarboxylic acid?
4,6,7-trimethoxyquinoline-2,3-dicarboxylic acid has a molecular weight of 307.26 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,7-trimethoxyquinoline-2,3-dicarboxylic acid is sourced from PubChem (CID 19021402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).