2-(3-fluorophenyl)-1-[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone

C18H19FN2O2 — CID 97463686

IUPAC2-(3-fluorophenyl)-1-[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone
SMILESCOCc1cncc2c1CCN(C(=O)Cc1cccc(F)c1)C2
InChIInChI=1S/C18H19FN2O2/c1-23-12-15-10-20-9-14-11-21(6-5-17(14)15)18(22)8-13-3-2-4-16(19)7-13/h2-4,7,9-10H,5-6,8,11-12H2,1H3
InChIKeyWHVPDNGLAFJSBO-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.49
Rot. Bonds4

About 2-(3-fluorophenyl)-1-[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone

2-(3-fluorophenyl)-1-[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone (PubChem CID 97463686) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone
PubChem CID97463686
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name2-(3-fluorophenyl)-1-[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone
SMILESCOCc1cncc2c1CCN(C(=O)Cc1cccc(F)c1)C2
InChIInChI=1S/C18H19FN2O2/c1-23-12-15-10-20-9-14-11-21(6-5-17(14)15)18(22)8-13-3-2-4-16(19)7-13/h2-4,7,9-10H,5-6,8,11-12H2,1H3
InChIKeyWHVPDNGLAFJSBO-UHFFFAOYSA-N
XLogP2.49
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone (CID 97463686) is 2-(3-fluorophenyl)-1-[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone is COCc1cncc2c1CCN(C(=O)Cc1cccc(F)c1)C2.
What is the InChIKey of 2-(3-fluorophenyl)-1-[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone?
The InChIKey is WHVPDNGLAFJSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-23-12-15-10-20-9-14-11-21(6-5-17(14)15)18(22)8-13-3-2-4-16(19)7-13/h2-4,7,9-10H,5-6,8,11-12H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-1-[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone?
2-(3-fluorophenyl)-1-[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone has a molecular weight of 314.36 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone is sourced from PubChem (CID 97463686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).