2-[(3-chlorophenyl)methoxy]-7,8-dihydro-6H-1,6-naphthyridin-5-one

C15H13ClN2O2 — CID 57415208

IUPAC2-[(3-chlorophenyl)methoxy]-7,8-dihydro-6H-1,6-naphthyridin-5-one
SMILESO=C1NCCc2nc(OCc3cccc(Cl)c3)ccc21
InChIInChI=1S/C15H13ClN2O2/c16-11-3-1-2-10(8-11)9-20-14-5-4-12-13(18-14)6-7-17-15(12)19/h1-5,8H,6-7,9H2,(H,17,19)
InChIKeyHLKNFJAUKIHMES-UHFFFAOYSA-N
MW288.73 g/mol
LogP2.60
Rot. Bonds3

About 2-[(3-chlorophenyl)methoxy]-7,8-dihydro-6H-1,6-naphthyridin-5-one

2-[(3-chlorophenyl)methoxy]-7,8-dihydro-6H-1,6-naphthyridin-5-one (PubChem CID 57415208) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methoxy]-7,8-dihydro-6H-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methoxy]-7,8-dihydro-6H-1,6-naphthyridin-5-one
PubChem CID57415208
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC Name2-[(3-chlorophenyl)methoxy]-7,8-dihydro-6H-1,6-naphthyridin-5-one
SMILESO=C1NCCc2nc(OCc3cccc(Cl)c3)ccc21
InChIInChI=1S/C15H13ClN2O2/c16-11-3-1-2-10(8-11)9-20-14-5-4-12-13(18-14)6-7-17-15(12)19/h1-5,8H,6-7,9H2,(H,17,19)
InChIKeyHLKNFJAUKIHMES-UHFFFAOYSA-N
XLogP2.60
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methoxy]-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The IUPAC name of 2-[(3-chlorophenyl)methoxy]-7,8-dihydro-6H-1,6-naphthyridin-5-one (CID 57415208) is 2-[(3-chlorophenyl)methoxy]-7,8-dihydro-6H-1,6-naphthyridin-5-one.
What is the SMILES notation for 2-[(3-chlorophenyl)methoxy]-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The canonical SMILES for 2-[(3-chlorophenyl)methoxy]-7,8-dihydro-6H-1,6-naphthyridin-5-one is O=C1NCCc2nc(OCc3cccc(Cl)c3)ccc21.
What is the InChIKey of 2-[(3-chlorophenyl)methoxy]-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The InChIKey is HLKNFJAUKIHMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c16-11-3-1-2-10(8-11)9-20-14-5-4-12-13(18-14)6-7-17-15(12)19/h1-5,8H,6-7,9H2,(H,17,19).
What are the key properties of 2-[(3-chlorophenyl)methoxy]-7,8-dihydro-6H-1,6-naphthyridin-5-one?
2-[(3-chlorophenyl)methoxy]-7,8-dihydro-6H-1,6-naphthyridin-5-one has a molecular weight of 288.73 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methoxy]-7,8-dihydro-6H-1,6-naphthyridin-5-one is sourced from PubChem (CID 57415208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).