5-naphthalen-1-ylquinoline-2,4-dicarboxylic acid

C21H13NO4 — CID 11035294

IUPAC5-naphthalen-1-ylquinoline-2,4-dicarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)c2c(-c3cccc4ccccc34)cccc2n1
InChIInChI=1S/C21H13NO4/c23-20(24)16-11-18(21(25)26)22-17-10-4-9-15(19(16)17)14-8-3-6-12-5-1-2-7-13(12)14/h1-11H,(H,23,24)(H,25,26)
InChIKeyXVSJOIPAYOWBBE-UHFFFAOYSA-N
MW343.34 g/mol
LogP4.45
Rot. Bonds3

About 5-naphthalen-1-ylquinoline-2,4-dicarboxylic acid

5-naphthalen-1-ylquinoline-2,4-dicarboxylic acid (PubChem CID 11035294) has the molecular formula C21H13NO4 and a molecular weight of 343.34 g/mol. Its IUPAC name is 5-naphthalen-1-ylquinoline-2,4-dicarboxylic acid.

Molecular Properties

Compound Name5-naphthalen-1-ylquinoline-2,4-dicarboxylic acid
PubChem CID11035294
Molecular FormulaC21H13NO4
Molecular Weight343.34 g/mol
Exact Mass343.08
IUPAC Name5-naphthalen-1-ylquinoline-2,4-dicarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)c2c(-c3cccc4ccccc34)cccc2n1
InChIInChI=1S/C21H13NO4/c23-20(24)16-11-18(21(25)26)22-17-10-4-9-15(19(16)17)14-8-3-6-12-5-1-2-7-13(12)14/h1-11H,(H,23,24)(H,25,26)
InChIKeyXVSJOIPAYOWBBE-UHFFFAOYSA-N
XLogP4.45
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-1-ylquinoline-2,4-dicarboxylic acid?
The IUPAC name of 5-naphthalen-1-ylquinoline-2,4-dicarboxylic acid (CID 11035294) is 5-naphthalen-1-ylquinoline-2,4-dicarboxylic acid.
What is the SMILES notation for 5-naphthalen-1-ylquinoline-2,4-dicarboxylic acid?
The canonical SMILES for 5-naphthalen-1-ylquinoline-2,4-dicarboxylic acid is O=C(O)c1cc(C(=O)O)c2c(-c3cccc4ccccc34)cccc2n1.
What is the InChIKey of 5-naphthalen-1-ylquinoline-2,4-dicarboxylic acid?
The InChIKey is XVSJOIPAYOWBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13NO4/c23-20(24)16-11-18(21(25)26)22-17-10-4-9-15(19(16)17)14-8-3-6-12-5-1-2-7-13(12)14/h1-11H,(H,23,24)(H,25,26).
What are the key properties of 5-naphthalen-1-ylquinoline-2,4-dicarboxylic acid?
5-naphthalen-1-ylquinoline-2,4-dicarboxylic acid has a molecular weight of 343.34 g/mol, XLogP of 4.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-1-ylquinoline-2,4-dicarboxylic acid is sourced from PubChem (CID 11035294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).