(2-hydroxyphenyl) 2-oxo-1H-1,8-naphthyridine-3-carboxylate

C15H10N2O4 — CID 154452636

IUPAC(2-hydroxyphenyl) 2-oxo-1H-1,8-naphthyridine-3-carboxylate
SMILESO=C(Oc1ccccc1O)c1cc2cccnc2[nH]c1=O
InChIInChI=1S/C15H10N2O4/c18-11-5-1-2-6-12(11)21-15(20)10-8-9-4-3-7-16-13(9)17-14(10)19/h1-8,18H,(H,16,17,19)
InChIKeyWDDFWGPZXOVXTN-UHFFFAOYSA-N
MW282.25 g/mol
LogP1.85
Rot. Bonds2

About (2-hydroxyphenyl) 2-oxo-1H-1,8-naphthyridine-3-carboxylate

(2-hydroxyphenyl) 2-oxo-1H-1,8-naphthyridine-3-carboxylate (PubChem CID 154452636) has the molecular formula C15H10N2O4 and a molecular weight of 282.25 g/mol. Its IUPAC name is (2-hydroxyphenyl) 2-oxo-1H-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Name(2-hydroxyphenyl) 2-oxo-1H-1,8-naphthyridine-3-carboxylate
PubChem CID154452636
Molecular FormulaC15H10N2O4
Molecular Weight282.25 g/mol
Exact Mass282.06
IUPAC Name(2-hydroxyphenyl) 2-oxo-1H-1,8-naphthyridine-3-carboxylate
SMILESO=C(Oc1ccccc1O)c1cc2cccnc2[nH]c1=O
InChIInChI=1S/C15H10N2O4/c18-11-5-1-2-6-12(11)21-15(20)10-8-9-4-3-7-16-13(9)17-14(10)19/h1-8,18H,(H,16,17,19)
InChIKeyWDDFWGPZXOVXTN-UHFFFAOYSA-N
XLogP1.85
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl) 2-oxo-1H-1,8-naphthyridine-3-carboxylate?
The IUPAC name of (2-hydroxyphenyl) 2-oxo-1H-1,8-naphthyridine-3-carboxylate (CID 154452636) is (2-hydroxyphenyl) 2-oxo-1H-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for (2-hydroxyphenyl) 2-oxo-1H-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for (2-hydroxyphenyl) 2-oxo-1H-1,8-naphthyridine-3-carboxylate is O=C(Oc1ccccc1O)c1cc2cccnc2[nH]c1=O.
What is the InChIKey of (2-hydroxyphenyl) 2-oxo-1H-1,8-naphthyridine-3-carboxylate?
The InChIKey is WDDFWGPZXOVXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O4/c18-11-5-1-2-6-12(11)21-15(20)10-8-9-4-3-7-16-13(9)17-14(10)19/h1-8,18H,(H,16,17,19).
What are the key properties of (2-hydroxyphenyl) 2-oxo-1H-1,8-naphthyridine-3-carboxylate?
(2-hydroxyphenyl) 2-oxo-1H-1,8-naphthyridine-3-carboxylate has a molecular weight of 282.25 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl) 2-oxo-1H-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 154452636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).