5-hydroxy-3-naphthalen-1-yl-1H-quinolin-4-one

C19H13NO2 — CID 91095782

IUPAC5-hydroxy-3-naphthalen-1-yl-1H-quinolin-4-one
SMILESO=c1c(-c2cccc3ccccc23)c[nH]c2cccc(O)c12
InChIInChI=1S/C19H13NO2/c21-17-10-4-9-16-18(17)19(22)15(11-20-16)14-8-3-6-12-5-1-2-7-13(12)14/h1-11,21H,(H,20,22)
InChIKeyAGMDUUNYDUJDTI-UHFFFAOYSA-N
MW287.32 g/mol
LogP4.05
Rot. Bonds1

About 5-hydroxy-3-naphthalen-1-yl-1H-quinolin-4-one

5-hydroxy-3-naphthalen-1-yl-1H-quinolin-4-one (PubChem CID 91095782) has the molecular formula C19H13NO2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 5-hydroxy-3-naphthalen-1-yl-1H-quinolin-4-one.

Molecular Properties

Compound Name5-hydroxy-3-naphthalen-1-yl-1H-quinolin-4-one
PubChem CID91095782
Molecular FormulaC19H13NO2
Molecular Weight287.32 g/mol
Exact Mass287.09
IUPAC Name5-hydroxy-3-naphthalen-1-yl-1H-quinolin-4-one
SMILESO=c1c(-c2cccc3ccccc23)c[nH]c2cccc(O)c12
InChIInChI=1S/C19H13NO2/c21-17-10-4-9-16-18(17)19(22)15(11-20-16)14-8-3-6-12-5-1-2-7-13(12)14/h1-11,21H,(H,20,22)
InChIKeyAGMDUUNYDUJDTI-UHFFFAOYSA-N
XLogP4.05
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-naphthalen-1-yl-1H-quinolin-4-one?
The IUPAC name of 5-hydroxy-3-naphthalen-1-yl-1H-quinolin-4-one (CID 91095782) is 5-hydroxy-3-naphthalen-1-yl-1H-quinolin-4-one.
What is the SMILES notation for 5-hydroxy-3-naphthalen-1-yl-1H-quinolin-4-one?
The canonical SMILES for 5-hydroxy-3-naphthalen-1-yl-1H-quinolin-4-one is O=c1c(-c2cccc3ccccc23)c[nH]c2cccc(O)c12.
What is the InChIKey of 5-hydroxy-3-naphthalen-1-yl-1H-quinolin-4-one?
The InChIKey is AGMDUUNYDUJDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO2/c21-17-10-4-9-16-18(17)19(22)15(11-20-16)14-8-3-6-12-5-1-2-7-13(12)14/h1-11,21H,(H,20,22).
What are the key properties of 5-hydroxy-3-naphthalen-1-yl-1H-quinolin-4-one?
5-hydroxy-3-naphthalen-1-yl-1H-quinolin-4-one has a molecular weight of 287.32 g/mol, XLogP of 4.05, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-naphthalen-1-yl-1H-quinolin-4-one is sourced from PubChem (CID 91095782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).