1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-one

C18H14F2N2O2 — CID 90444046

IUPAC1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-one
SMILESCC(=O)Cc1cnc2cc(OCc3ccc(F)c(F)c3)cnc2c1
InChIInChI=1S/C18H14F2N2O2/c1-11(23)4-13-6-17-18(21-8-13)7-14(9-22-17)24-10-12-2-3-15(19)16(20)5-12/h2-3,5-9H,4,10H2,1H3
InChIKeyJWHKRLVQMKFFJV-UHFFFAOYSA-N
MW328.32 g/mol
LogP3.62
Rot. Bonds5

About 1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-one

1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-one (PubChem CID 90444046) has the molecular formula C18H14F2N2O2 and a molecular weight of 328.32 g/mol. Its IUPAC name is 1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-one.

Molecular Properties

Compound Name1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-one
PubChem CID90444046
Molecular FormulaC18H14F2N2O2
Molecular Weight328.32 g/mol
Exact Mass328.10
IUPAC Name1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-one
SMILESCC(=O)Cc1cnc2cc(OCc3ccc(F)c(F)c3)cnc2c1
InChIInChI=1S/C18H14F2N2O2/c1-11(23)4-13-6-17-18(21-8-13)7-14(9-22-17)24-10-12-2-3-15(19)16(20)5-12/h2-3,5-9H,4,10H2,1H3
InChIKeyJWHKRLVQMKFFJV-UHFFFAOYSA-N
XLogP3.62
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-one?
The IUPAC name of 1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-one (CID 90444046) is 1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-one.
What is the SMILES notation for 1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-one?
The canonical SMILES for 1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-one is CC(=O)Cc1cnc2cc(OCc3ccc(F)c(F)c3)cnc2c1.
What is the InChIKey of 1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-one?
The InChIKey is JWHKRLVQMKFFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O2/c1-11(23)4-13-6-17-18(21-8-13)7-14(9-22-17)24-10-12-2-3-15(19)16(20)5-12/h2-3,5-9H,4,10H2,1H3.
What are the key properties of 1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-one?
1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-one has a molecular weight of 328.32 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-one is sourced from PubChem (CID 90444046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).