3-naphthalen-2-ylquinoxaline-5-carboxylic acid

C19H12N2O2 — CID 16740745

IUPAC3-naphthalen-2-ylquinoxaline-5-carboxylic acid
SMILESO=C(O)c1cccc2ncc(-c3ccc4ccccc4c3)nc12
InChIInChI=1S/C19H12N2O2/c22-19(23)15-6-3-7-16-18(15)21-17(11-20-16)14-9-8-12-4-1-2-5-13(12)10-14/h1-11H,(H,22,23)
InChIKeyXUITUTUPHAUUMJ-UHFFFAOYSA-N
MW300.32 g/mol
LogP4.15
Rot. Bonds2

About 3-naphthalen-2-ylquinoxaline-5-carboxylic acid

3-naphthalen-2-ylquinoxaline-5-carboxylic acid (PubChem CID 16740745) has the molecular formula C19H12N2O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is 3-naphthalen-2-ylquinoxaline-5-carboxylic acid.

Molecular Properties

Compound Name3-naphthalen-2-ylquinoxaline-5-carboxylic acid
PubChem CID16740745
Molecular FormulaC19H12N2O2
Molecular Weight300.32 g/mol
Exact Mass300.09
IUPAC Name3-naphthalen-2-ylquinoxaline-5-carboxylic acid
SMILESO=C(O)c1cccc2ncc(-c3ccc4ccccc4c3)nc12
InChIInChI=1S/C19H12N2O2/c22-19(23)15-6-3-7-16-18(15)21-17(11-20-16)14-9-8-12-4-1-2-5-13(12)10-14/h1-11H,(H,22,23)
InChIKeyXUITUTUPHAUUMJ-UHFFFAOYSA-N
XLogP4.15
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-ylquinoxaline-5-carboxylic acid?
The IUPAC name of 3-naphthalen-2-ylquinoxaline-5-carboxylic acid (CID 16740745) is 3-naphthalen-2-ylquinoxaline-5-carboxylic acid.
What is the SMILES notation for 3-naphthalen-2-ylquinoxaline-5-carboxylic acid?
The canonical SMILES for 3-naphthalen-2-ylquinoxaline-5-carboxylic acid is O=C(O)c1cccc2ncc(-c3ccc4ccccc4c3)nc12.
What is the InChIKey of 3-naphthalen-2-ylquinoxaline-5-carboxylic acid?
The InChIKey is XUITUTUPHAUUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O2/c22-19(23)15-6-3-7-16-18(15)21-17(11-20-16)14-9-8-12-4-1-2-5-13(12)10-14/h1-11H,(H,22,23).
What are the key properties of 3-naphthalen-2-ylquinoxaline-5-carboxylic acid?
3-naphthalen-2-ylquinoxaline-5-carboxylic acid has a molecular weight of 300.32 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-ylquinoxaline-5-carboxylic acid is sourced from PubChem (CID 16740745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).