3-(4-methoxyphenyl)quinoline-2,4-dicarboxylic acid

C18H13NO5 — CID 718646

IUPAC3-(4-methoxyphenyl)quinoline-2,4-dicarboxylic acid
SMILESCOc1ccc(-c2c(C(=O)O)nc3ccccc3c2C(=O)O)cc1
InChIInChI=1S/C18H13NO5/c1-24-11-8-6-10(7-9-11)14-15(17(20)21)12-4-2-3-5-13(12)19-16(14)18(22)23/h2-9H,1H3,(H,20,21)(H,22,23)
InChIKeyCDWWIWDVXOQSLL-UHFFFAOYSA-N
MW323.30 g/mol
LogP3.31
Rot. Bonds4

About 3-(4-methoxyphenyl)quinoline-2,4-dicarboxylic acid

3-(4-methoxyphenyl)quinoline-2,4-dicarboxylic acid (PubChem CID 718646) has the molecular formula C18H13NO5 and a molecular weight of 323.30 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)quinoline-2,4-dicarboxylic acid.

Molecular Properties

Compound Name3-(4-methoxyphenyl)quinoline-2,4-dicarboxylic acid
PubChem CID718646
Molecular FormulaC18H13NO5
Molecular Weight323.30 g/mol
Exact Mass323.08
IUPAC Name3-(4-methoxyphenyl)quinoline-2,4-dicarboxylic acid
SMILESCOc1ccc(-c2c(C(=O)O)nc3ccccc3c2C(=O)O)cc1
InChIInChI=1S/C18H13NO5/c1-24-11-8-6-10(7-9-11)14-15(17(20)21)12-4-2-3-5-13(12)19-16(14)18(22)23/h2-9H,1H3,(H,20,21)(H,22,23)
InChIKeyCDWWIWDVXOQSLL-UHFFFAOYSA-N
XLogP3.31
TPSA96.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.30
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)quinoline-2,4-dicarboxylic acid?
The IUPAC name of 3-(4-methoxyphenyl)quinoline-2,4-dicarboxylic acid (CID 718646) is 3-(4-methoxyphenyl)quinoline-2,4-dicarboxylic acid.
What is the SMILES notation for 3-(4-methoxyphenyl)quinoline-2,4-dicarboxylic acid?
The canonical SMILES for 3-(4-methoxyphenyl)quinoline-2,4-dicarboxylic acid is COc1ccc(-c2c(C(=O)O)nc3ccccc3c2C(=O)O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)quinoline-2,4-dicarboxylic acid?
The InChIKey is CDWWIWDVXOQSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO5/c1-24-11-8-6-10(7-9-11)14-15(17(20)21)12-4-2-3-5-13(12)19-16(14)18(22)23/h2-9H,1H3,(H,20,21)(H,22,23).
What are the key properties of 3-(4-methoxyphenyl)quinoline-2,4-dicarboxylic acid?
3-(4-methoxyphenyl)quinoline-2,4-dicarboxylic acid has a molecular weight of 323.30 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)quinoline-2,4-dicarboxylic acid is sourced from PubChem (CID 718646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).