1,4-dihydroxy-5-(3-hydroxyphenyl)-1,8-naphthyridin-2-one

C14H10N2O4 — CID 54720270

IUPAC1,4-dihydroxy-5-(3-hydroxyphenyl)-1,8-naphthyridin-2-one
SMILESO=c1cc(O)c2c(-c3cccc(O)c3)ccnc2n1O
InChIInChI=1S/C14H10N2O4/c17-9-3-1-2-8(6-9)10-4-5-15-14-13(10)11(18)7-12(19)16(14)20/h1-7,17-18,20H
InChIKeyXXPANNKSAKZISR-UHFFFAOYSA-N
MW270.24 g/mol
LogP1.71
Rot. Bonds1

About 1,4-dihydroxy-5-(3-hydroxyphenyl)-1,8-naphthyridin-2-one

1,4-dihydroxy-5-(3-hydroxyphenyl)-1,8-naphthyridin-2-one (PubChem CID 54720270) has the molecular formula C14H10N2O4 and a molecular weight of 270.24 g/mol. Its IUPAC name is 1,4-dihydroxy-5-(3-hydroxyphenyl)-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name1,4-dihydroxy-5-(3-hydroxyphenyl)-1,8-naphthyridin-2-one
PubChem CID54720270
Molecular FormulaC14H10N2O4
Molecular Weight270.24 g/mol
Exact Mass270.06
IUPAC Name1,4-dihydroxy-5-(3-hydroxyphenyl)-1,8-naphthyridin-2-one
SMILESO=c1cc(O)c2c(-c3cccc(O)c3)ccnc2n1O
InChIInChI=1S/C14H10N2O4/c17-9-3-1-2-8(6-9)10-4-5-15-14-13(10)11(18)7-12(19)16(14)20/h1-7,17-18,20H
InChIKeyXXPANNKSAKZISR-UHFFFAOYSA-N
XLogP1.71
TPSA95.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 1,4-dihydroxy-5-(3-hydroxyphenyl)-1,8-naphthyridin-2-one?
The IUPAC name of 1,4-dihydroxy-5-(3-hydroxyphenyl)-1,8-naphthyridin-2-one (CID 54720270) is 1,4-dihydroxy-5-(3-hydroxyphenyl)-1,8-naphthyridin-2-one.
What is the SMILES notation for 1,4-dihydroxy-5-(3-hydroxyphenyl)-1,8-naphthyridin-2-one?
The canonical SMILES for 1,4-dihydroxy-5-(3-hydroxyphenyl)-1,8-naphthyridin-2-one is O=c1cc(O)c2c(-c3cccc(O)c3)ccnc2n1O.
What is the InChIKey of 1,4-dihydroxy-5-(3-hydroxyphenyl)-1,8-naphthyridin-2-one?
The InChIKey is XXPANNKSAKZISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O4/c17-9-3-1-2-8(6-9)10-4-5-15-14-13(10)11(18)7-12(19)16(14)20/h1-7,17-18,20H.
What are the key properties of 1,4-dihydroxy-5-(3-hydroxyphenyl)-1,8-naphthyridin-2-one?
1,4-dihydroxy-5-(3-hydroxyphenyl)-1,8-naphthyridin-2-one has a molecular weight of 270.24 g/mol, XLogP of 1.71, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydroxy-5-(3-hydroxyphenyl)-1,8-naphthyridin-2-one is sourced from PubChem (CID 54720270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).