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

C14H10N2O4 — CID 54735038

IUPAC1,4-dihydroxy-3-(2-hydroxyphenyl)-1,8-naphthyridin-2-one
SMILESO=c1c(-c2ccccc2O)c(O)c2cccnc2n1O
InChIInChI=1S/C14H10N2O4/c17-10-6-2-1-4-8(10)11-12(18)9-5-3-7-15-13(9)16(20)14(11)19/h1-7,17-18,20H
InChIKeyGMDPZQXYUCZPDS-UHFFFAOYSA-N
MW270.24 g/mol
LogP1.71
Rot. Bonds1

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

1,4-dihydroxy-3-(2-hydroxyphenyl)-1,8-naphthyridin-2-one (PubChem CID 54735038) has the molecular formula C14H10N2O4 and a molecular weight of 270.24 g/mol. Its IUPAC name is 1,4-dihydroxy-3-(2-hydroxyphenyl)-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name1,4-dihydroxy-3-(2-hydroxyphenyl)-1,8-naphthyridin-2-one
PubChem CID54735038
Molecular FormulaC14H10N2O4
Molecular Weight270.24 g/mol
Exact Mass270.06
IUPAC Name1,4-dihydroxy-3-(2-hydroxyphenyl)-1,8-naphthyridin-2-one
SMILESO=c1c(-c2ccccc2O)c(O)c2cccnc2n1O
InChIInChI=1S/C14H10N2O4/c17-10-6-2-1-4-8(10)11-12(18)9-5-3-7-15-13(9)16(20)14(11)19/h1-7,17-18,20H
InChIKeyGMDPZQXYUCZPDS-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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Related Compounds

1,4-dihydroxy-N-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54735001
8-hydroxy-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 18737197
2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)phenol
CID 84689140
3-amino-1-butyl-4-(2-hydroxyphenyl)-1,8-naphthyridin-2-one
CID 139946679
(2S,3R)-7-hydroxy-2,3-diphenyl-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c][1,8]naphthyridine-5,6-dione
CID 59224789
4-hydroxy-1,3-dimethyl-1,8-naphthyridin-2-one
CID 54702806
1-[2,6-di(propan-2-yl)phenyl]-3-[4-(2-hydroxyphenyl)-1-methyl-2-oxo-1,8-naphthyridin-3-yl]urea
CID 22105977
2-pyrimidin-2-ylphenol;zinc
CID 161346901
(4-hydroxy-1-methyl-2-oxo-1,8-naphthyridin-3-yl)-phenyliodanium
CID 87903535
8-hydroxy-6-methyl-1,6-naphthyridin-5-one
CID 59256580
5-hydroxy-7-methyl-1,7-naphthyridin-8-one
CID 141377823
6-oxobenzo[c][1,8]naphthyridine-5-carboxamide
CID 173214954

Frequently Asked Questions

What is the IUPAC name of 1,4-dihydroxy-3-(2-hydroxyphenyl)-1,8-naphthyridin-2-one?
The IUPAC name of 1,4-dihydroxy-3-(2-hydroxyphenyl)-1,8-naphthyridin-2-one (CID 54735038) is 1,4-dihydroxy-3-(2-hydroxyphenyl)-1,8-naphthyridin-2-one.
What is the SMILES notation for 1,4-dihydroxy-3-(2-hydroxyphenyl)-1,8-naphthyridin-2-one?
The canonical SMILES for 1,4-dihydroxy-3-(2-hydroxyphenyl)-1,8-naphthyridin-2-one is O=c1c(-c2ccccc2O)c(O)c2cccnc2n1O.
What is the InChIKey of 1,4-dihydroxy-3-(2-hydroxyphenyl)-1,8-naphthyridin-2-one?
The InChIKey is GMDPZQXYUCZPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O4/c17-10-6-2-1-4-8(10)11-12(18)9-5-3-7-15-13(9)16(20)14(11)19/h1-7,17-18,20H.
What are the key properties of 1,4-dihydroxy-3-(2-hydroxyphenyl)-1,8-naphthyridin-2-one?
1,4-dihydroxy-3-(2-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-3-(2-hydroxyphenyl)-1,8-naphthyridin-2-one is sourced from PubChem (CID 54735038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).