2-phenylmethoxy-7,8-dihydro-6H-1,6-naphthyridin-5-one

C15H14N2O2 — CID 90645519

IUPAC2-phenylmethoxy-7,8-dihydro-6H-1,6-naphthyridin-5-one
SMILESO=C1NCCc2nc(OCc3ccccc3)ccc21
InChIInChI=1S/C15H14N2O2/c18-15-12-6-7-14(17-13(12)8-9-16-15)19-10-11-4-2-1-3-5-11/h1-7H,8-10H2,(H,16,18)
InChIKeySETVLJWRUXEFGB-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.95
Rot. Bonds3

About 2-phenylmethoxy-7,8-dihydro-6H-1,6-naphthyridin-5-one

2-phenylmethoxy-7,8-dihydro-6H-1,6-naphthyridin-5-one (PubChem CID 90645519) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-phenylmethoxy-7,8-dihydro-6H-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name2-phenylmethoxy-7,8-dihydro-6H-1,6-naphthyridin-5-one
PubChem CID90645519
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name2-phenylmethoxy-7,8-dihydro-6H-1,6-naphthyridin-5-one
SMILESO=C1NCCc2nc(OCc3ccccc3)ccc21
InChIInChI=1S/C15H14N2O2/c18-15-12-6-7-14(17-13(12)8-9-16-15)19-10-11-4-2-1-3-5-11/h1-7H,8-10H2,(H,16,18)
InChIKeySETVLJWRUXEFGB-UHFFFAOYSA-N
XLogP1.95
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The IUPAC name of 2-phenylmethoxy-7,8-dihydro-6H-1,6-naphthyridin-5-one (CID 90645519) is 2-phenylmethoxy-7,8-dihydro-6H-1,6-naphthyridin-5-one.
What is the SMILES notation for 2-phenylmethoxy-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The canonical SMILES for 2-phenylmethoxy-7,8-dihydro-6H-1,6-naphthyridin-5-one is O=C1NCCc2nc(OCc3ccccc3)ccc21.
What is the InChIKey of 2-phenylmethoxy-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The InChIKey is SETVLJWRUXEFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c18-15-12-6-7-14(17-13(12)8-9-16-15)19-10-11-4-2-1-3-5-11/h1-7H,8-10H2,(H,16,18).
What are the key properties of 2-phenylmethoxy-7,8-dihydro-6H-1,6-naphthyridin-5-one?
2-phenylmethoxy-7,8-dihydro-6H-1,6-naphthyridin-5-one has a molecular weight of 254.29 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-7,8-dihydro-6H-1,6-naphthyridin-5-one is sourced from PubChem (CID 90645519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).