3-fluoro-4-[(3-fluoro-6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-N-methylaniline

C17H15F2N3O3 — CID 177004542

IUPAC3-fluoro-4-[(3-fluoro-6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-N-methylaniline
SMILESCNc1ccc(Oc2c(F)cnc3cc(OC)c(OC)nc23)c(F)c1
InChIInChI=1S/C17H15F2N3O3/c1-20-9-4-5-13(10(18)6-9)25-16-11(19)8-21-12-7-14(23-2)17(24-3)22-15(12)16/h4-8,20H,1-3H3
InChIKeyFWFSWTCLUIZRFN-UHFFFAOYSA-N
MW347.32 g/mol
LogP3.76
Rot. Bonds5

About 3-fluoro-4-[(3-fluoro-6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-N-methylaniline

3-fluoro-4-[(3-fluoro-6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-N-methylaniline (PubChem CID 177004542) has the molecular formula C17H15F2N3O3 and a molecular weight of 347.32 g/mol. Its IUPAC name is 3-fluoro-4-[(3-fluoro-6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-N-methylaniline.

Molecular Properties

Compound Name3-fluoro-4-[(3-fluoro-6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-N-methylaniline
PubChem CID177004542
Molecular FormulaC17H15F2N3O3
Molecular Weight347.32 g/mol
Exact Mass347.11
IUPAC Name3-fluoro-4-[(3-fluoro-6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-N-methylaniline
SMILESCNc1ccc(Oc2c(F)cnc3cc(OC)c(OC)nc23)c(F)c1
InChIInChI=1S/C17H15F2N3O3/c1-20-9-4-5-13(10(18)6-9)25-16-11(19)8-21-12-7-14(23-2)17(24-3)22-15(12)16/h4-8,20H,1-3H3
InChIKeyFWFSWTCLUIZRFN-UHFFFAOYSA-N
XLogP3.76
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.32
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(3-fluoro-6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-N-methylaniline?
The IUPAC name of 3-fluoro-4-[(3-fluoro-6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-N-methylaniline (CID 177004542) is 3-fluoro-4-[(3-fluoro-6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-N-methylaniline.
What is the SMILES notation for 3-fluoro-4-[(3-fluoro-6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-N-methylaniline?
The canonical SMILES for 3-fluoro-4-[(3-fluoro-6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-N-methylaniline is CNc1ccc(Oc2c(F)cnc3cc(OC)c(OC)nc23)c(F)c1.
What is the InChIKey of 3-fluoro-4-[(3-fluoro-6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-N-methylaniline?
The InChIKey is FWFSWTCLUIZRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O3/c1-20-9-4-5-13(10(18)6-9)25-16-11(19)8-21-12-7-14(23-2)17(24-3)22-15(12)16/h4-8,20H,1-3H3.
What are the key properties of 3-fluoro-4-[(3-fluoro-6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-N-methylaniline?
3-fluoro-4-[(3-fluoro-6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-N-methylaniline has a molecular weight of 347.32 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(3-fluoro-6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-N-methylaniline is sourced from PubChem (CID 177004542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).