2-[(3-fluorophenyl)methoxy]-6-[(3-methyloxetan-3-yl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one

C20H21FN2O3 — CID 57415210

IUPAC2-[(3-fluorophenyl)methoxy]-6-[(3-methyloxetan-3-yl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one
SMILESCC1(CN2CCc3nc(OCc4cccc(F)c4)ccc3C2=O)COC1
InChIInChI=1S/C20H21FN2O3/c1-20(12-25-13-20)11-23-8-7-17-16(19(23)24)5-6-18(22-17)26-10-14-3-2-4-15(21)9-14/h2-6,9H,7-8,10-13H2,1H3
InChIKeyPHIQTSQTVGCYPF-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.83
Rot. Bonds5

About 2-[(3-fluorophenyl)methoxy]-6-[(3-methyloxetan-3-yl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one

2-[(3-fluorophenyl)methoxy]-6-[(3-methyloxetan-3-yl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one (PubChem CID 57415210) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methoxy]-6-[(3-methyloxetan-3-yl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methoxy]-6-[(3-methyloxetan-3-yl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one
PubChem CID57415210
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Name2-[(3-fluorophenyl)methoxy]-6-[(3-methyloxetan-3-yl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one
SMILESCC1(CN2CCc3nc(OCc4cccc(F)c4)ccc3C2=O)COC1
InChIInChI=1S/C20H21FN2O3/c1-20(12-25-13-20)11-23-8-7-17-16(19(23)24)5-6-18(22-17)26-10-14-3-2-4-15(21)9-14/h2-6,9H,7-8,10-13H2,1H3
InChIKeyPHIQTSQTVGCYPF-UHFFFAOYSA-N
XLogP2.83
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methoxy]-6-[(3-methyloxetan-3-yl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one?
The IUPAC name of 2-[(3-fluorophenyl)methoxy]-6-[(3-methyloxetan-3-yl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one (CID 57415210) is 2-[(3-fluorophenyl)methoxy]-6-[(3-methyloxetan-3-yl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one.
What is the SMILES notation for 2-[(3-fluorophenyl)methoxy]-6-[(3-methyloxetan-3-yl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one?
The canonical SMILES for 2-[(3-fluorophenyl)methoxy]-6-[(3-methyloxetan-3-yl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one is CC1(CN2CCc3nc(OCc4cccc(F)c4)ccc3C2=O)COC1.
What is the InChIKey of 2-[(3-fluorophenyl)methoxy]-6-[(3-methyloxetan-3-yl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one?
The InChIKey is PHIQTSQTVGCYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c1-20(12-25-13-20)11-23-8-7-17-16(19(23)24)5-6-18(22-17)26-10-14-3-2-4-15(21)9-14/h2-6,9H,7-8,10-13H2,1H3.
What are the key properties of 2-[(3-fluorophenyl)methoxy]-6-[(3-methyloxetan-3-yl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one?
2-[(3-fluorophenyl)methoxy]-6-[(3-methyloxetan-3-yl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one has a molecular weight of 356.40 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methoxy]-6-[(3-methyloxetan-3-yl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one is sourced from PubChem (CID 57415210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).