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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Related Compounds

(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[2-[(6-methyl-2-pyridinyl)oxy]ethylamino]methyl]piperidin-1-yl]methanone
CID 132256727
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[2-[(6-fluoro-2-pyridinyl)oxy]ethylamino]methyl]piperidin-1-yl]methanone
CID 132256755
2-((3-fluorobenzyl)oxy)-7,8-dihydro-1,6-naphthyridin-5(6H)-one
CID 57405264
6-(Cyclobutylmethyl)-2-[(3-fluorophenyl)methoxy]-7,8-dihydro-1,6-naphthyridin-5-one
CID 68105435
6-(4-Fluorophenyl)-2-[(3-fluorophenyl)methoxy]-7,8-dihydro-1,6-naphthyridin-5-one
CID 90645522
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[2-[6-(trifluoromethyl)pyridin-2-yl]oxyethylamino]methyl]piperidin-1-yl]methanone
CID 132256763
[4-[[(6-Butoxy-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(3,4-dichlorophenyl)methanone
CID 10575529
2-(3-chlorobenzyloxy)-N,6-dimethyl-N-(pyridin-3-ylmethyl)isonicotinamide
CID 44409949
3-[6-[2-(3-chloro-5-fluorophenyl)ethoxy]-2-pyridinyl]-N-(2-hydroxyethyl)benzamide
CID 90645439
6-Chloro-N-(3,4-dihydro-2H-1-benzopyran-4-YL)pyridine-3-carboxamide
CID 16301357
2-[(2-fluorophenyl)methoxy]-7,8-dihydro-6H-1,6-naphthyridin-5-one
CID 57415207
2-[(3-Fluorophenyl)methoxy]-6-[(3-methyloxetan-3-yl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one
CID 57415210

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).