2-[4-(hydroxymethyl)phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one

C21H16N2O2 — CID 59846141

IUPAC2-[4-(hydroxymethyl)phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one
SMILESO=c1[nH]ccc2nc(-c3ccc(CO)cc3)c(-c3ccccc3)cc12
InChIInChI=1S/C21H16N2O2/c24-13-14-6-8-16(9-7-14)20-17(15-4-2-1-3-5-15)12-18-19(23-20)10-11-22-21(18)25/h1-12,24H,13H2,(H,22,25)
InChIKeyPQPKPEZSFXQHDC-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.75
Rot. Bonds3

About 2-[4-(hydroxymethyl)phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one

2-[4-(hydroxymethyl)phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one (PubChem CID 59846141) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one
PubChem CID59846141
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC Name2-[4-(hydroxymethyl)phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one
SMILESO=c1[nH]ccc2nc(-c3ccc(CO)cc3)c(-c3ccccc3)cc12
InChIInChI=1S/C21H16N2O2/c24-13-14-6-8-16(9-7-14)20-17(15-4-2-1-3-5-15)12-18-19(23-20)10-11-22-21(18)25/h1-12,24H,13H2,(H,22,25)
InChIKeyPQPKPEZSFXQHDC-UHFFFAOYSA-N
XLogP3.75
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one?
The IUPAC name of 2-[4-(hydroxymethyl)phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one (CID 59846141) is 2-[4-(hydroxymethyl)phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one.
What is the SMILES notation for 2-[4-(hydroxymethyl)phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one?
The canonical SMILES for 2-[4-(hydroxymethyl)phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one is O=c1[nH]ccc2nc(-c3ccc(CO)cc3)c(-c3ccccc3)cc12.
What is the InChIKey of 2-[4-(hydroxymethyl)phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one?
The InChIKey is PQPKPEZSFXQHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2/c24-13-14-6-8-16(9-7-14)20-17(15-4-2-1-3-5-15)12-18-19(23-20)10-11-22-21(18)25/h1-12,24H,13H2,(H,22,25).
What are the key properties of 2-[4-(hydroxymethyl)phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one?
2-[4-(hydroxymethyl)phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one has a molecular weight of 328.37 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one is sourced from PubChem (CID 59846141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).