2-naphthalen-2-ylquinoline-4-carboxylic acid

C20H13NO2 — CID 680333

IUPAC2-naphthalen-2-ylquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc3ccccc3c2)nc2ccccc12
InChIInChI=1S/C20H13NO2/c22-20(23)17-12-19(21-18-8-4-3-7-16(17)18)15-10-9-13-5-1-2-6-14(13)11-15/h1-12H,(H,22,23)
InChIKeyLLMCWSJMTWWINZ-UHFFFAOYSA-N
MW299.33 g/mol
LogP4.75
Rot. Bonds2

About 2-naphthalen-2-ylquinoline-4-carboxylic acid

2-naphthalen-2-ylquinoline-4-carboxylic acid (PubChem CID 680333) has the molecular formula C20H13NO2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-naphthalen-2-ylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-naphthalen-2-ylquinoline-4-carboxylic acid
PubChem CID680333
Molecular FormulaC20H13NO2
Molecular Weight299.33 g/mol
Exact Mass299.09
IUPAC Name2-naphthalen-2-ylquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc3ccccc3c2)nc2ccccc12
InChIInChI=1S/C20H13NO2/c22-20(23)17-12-19(21-18-8-4-3-7-16(17)18)15-10-9-13-5-1-2-6-14(13)11-15/h1-12H,(H,22,23)
InChIKeyLLMCWSJMTWWINZ-UHFFFAOYSA-N
XLogP4.75
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-ylquinoline-4-carboxylic acid?
The IUPAC name of 2-naphthalen-2-ylquinoline-4-carboxylic acid (CID 680333) is 2-naphthalen-2-ylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-naphthalen-2-ylquinoline-4-carboxylic acid?
The canonical SMILES for 2-naphthalen-2-ylquinoline-4-carboxylic acid is O=C(O)c1cc(-c2ccc3ccccc3c2)nc2ccccc12.
What is the InChIKey of 2-naphthalen-2-ylquinoline-4-carboxylic acid?
The InChIKey is LLMCWSJMTWWINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO2/c22-20(23)17-12-19(21-18-8-4-3-7-16(17)18)15-10-9-13-5-1-2-6-14(13)11-15/h1-12H,(H,22,23).
What are the key properties of 2-naphthalen-2-ylquinoline-4-carboxylic acid?
2-naphthalen-2-ylquinoline-4-carboxylic acid has a molecular weight of 299.33 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-ylquinoline-4-carboxylic acid is sourced from PubChem (CID 680333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).