1-hydroxy-4-(3-hydroxyphenyl)-1,8-naphthyridin-2-one

C14H10N2O3 — CID 24811220

IUPAC1-hydroxy-4-(3-hydroxyphenyl)-1,8-naphthyridin-2-one
SMILESO=c1cc(-c2cccc(O)c2)c2cccnc2n1O
InChIInChI=1S/C14H10N2O3/c17-10-4-1-3-9(7-10)12-8-13(18)16(19)14-11(12)5-2-6-15-14/h1-8,17,19H
InChIKeyAKKYMSFFWCMCFY-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.01
Rot. Bonds1

About 1-hydroxy-4-(3-hydroxyphenyl)-1,8-naphthyridin-2-one

1-hydroxy-4-(3-hydroxyphenyl)-1,8-naphthyridin-2-one (PubChem CID 24811220) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is 1-hydroxy-4-(3-hydroxyphenyl)-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name1-hydroxy-4-(3-hydroxyphenyl)-1,8-naphthyridin-2-one
PubChem CID24811220
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Name1-hydroxy-4-(3-hydroxyphenyl)-1,8-naphthyridin-2-one
SMILESO=c1cc(-c2cccc(O)c2)c2cccnc2n1O
InChIInChI=1S/C14H10N2O3/c17-10-4-1-3-9(7-10)12-8-13(18)16(19)14-11(12)5-2-6-15-14/h1-8,17,19H
InChIKeyAKKYMSFFWCMCFY-UHFFFAOYSA-N
XLogP2.01
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-(3-hydroxyphenyl)-1,8-naphthyridin-2-one?
The IUPAC name of 1-hydroxy-4-(3-hydroxyphenyl)-1,8-naphthyridin-2-one (CID 24811220) is 1-hydroxy-4-(3-hydroxyphenyl)-1,8-naphthyridin-2-one.
What is the SMILES notation for 1-hydroxy-4-(3-hydroxyphenyl)-1,8-naphthyridin-2-one?
The canonical SMILES for 1-hydroxy-4-(3-hydroxyphenyl)-1,8-naphthyridin-2-one is O=c1cc(-c2cccc(O)c2)c2cccnc2n1O.
What is the InChIKey of 1-hydroxy-4-(3-hydroxyphenyl)-1,8-naphthyridin-2-one?
The InChIKey is AKKYMSFFWCMCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c17-10-4-1-3-9(7-10)12-8-13(18)16(19)14-11(12)5-2-6-15-14/h1-8,17,19H.
What are the key properties of 1-hydroxy-4-(3-hydroxyphenyl)-1,8-naphthyridin-2-one?
1-hydroxy-4-(3-hydroxyphenyl)-1,8-naphthyridin-2-one has a molecular weight of 254.25 g/mol, XLogP of 2.01, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-(3-hydroxyphenyl)-1,8-naphthyridin-2-one is sourced from PubChem (CID 24811220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).