5-[3-fluoro-4-[7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyanilino]-3-(4-fluorophenyl)-1H-1,6-naphthyridin-4-one

C35H29F2N5O4 — CID 162664043

IUPAC5-[3-fluoro-4-[7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyanilino]-3-(4-fluorophenyl)-1H-1,6-naphthyridin-4-one
SMILESO=c1c(-c2ccc(F)cc2)c[nH]c2ccnc(Nc3ccc(Oc4ccnc5cc(OCCN6CCOCC6)ccc45)c(F)c3)c12
InChIInChI=1S/C35H29F2N5O4/c36-23-3-1-22(2-4-23)27-21-40-29-9-11-39-35(33(29)34(27)43)41-24-5-8-32(28(37)19-24)46-31-10-12-38-30-20-25(6-7-26(30)31)45-18-15-42-13-16-44-17-14-42/h1-12,19-21H,13-18H2,(H,39,41)(H,40,43)
InChIKeyZMXMWKNCZFZTBG-UHFFFAOYSA-N
MW621.64 g/mol
LogP6.66
Rot. Bonds9

About 5-[3-fluoro-4-[7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyanilino]-3-(4-fluorophenyl)-1H-1,6-naphthyridin-4-one

5-[3-fluoro-4-[7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyanilino]-3-(4-fluorophenyl)-1H-1,6-naphthyridin-4-one (PubChem CID 162664043) has the molecular formula C35H29F2N5O4 and a molecular weight of 621.64 g/mol. Its IUPAC name is 5-[3-fluoro-4-[7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyanilino]-3-(4-fluorophenyl)-1H-1,6-naphthyridin-4-one.

Molecular Properties

Compound Name5-[3-fluoro-4-[7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyanilino]-3-(4-fluorophenyl)-1H-1,6-naphthyridin-4-one
PubChem CID162664043
Molecular FormulaC35H29F2N5O4
Molecular Weight621.64 g/mol
Exact Mass621.22
IUPAC Name5-[3-fluoro-4-[7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyanilino]-3-(4-fluorophenyl)-1H-1,6-naphthyridin-4-one
SMILESO=c1c(-c2ccc(F)cc2)c[nH]c2ccnc(Nc3ccc(Oc4ccnc5cc(OCCN6CCOCC6)ccc45)c(F)c3)c12
InChIInChI=1S/C35H29F2N5O4/c36-23-3-1-22(2-4-23)27-21-40-29-9-11-39-35(33(29)34(27)43)41-24-5-8-32(28(37)19-24)46-31-10-12-38-30-20-25(6-7-26(30)31)45-18-15-42-13-16-44-17-14-42/h1-12,19-21H,13-18H2,(H,39,41)(H,40,43)
InChIKeyZMXMWKNCZFZTBG-UHFFFAOYSA-N
XLogP6.66
TPSA101.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.64
LogP ≤ 56.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[3-fluoro-4-[7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyanilino]-3-(4-fluorophenyl)-1H-1,6-naphthyridin-4-one?
The IUPAC name of 5-[3-fluoro-4-[7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyanilino]-3-(4-fluorophenyl)-1H-1,6-naphthyridin-4-one (CID 162664043) is 5-[3-fluoro-4-[7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyanilino]-3-(4-fluorophenyl)-1H-1,6-naphthyridin-4-one.
What is the SMILES notation for 5-[3-fluoro-4-[7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyanilino]-3-(4-fluorophenyl)-1H-1,6-naphthyridin-4-one?
The canonical SMILES for 5-[3-fluoro-4-[7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyanilino]-3-(4-fluorophenyl)-1H-1,6-naphthyridin-4-one is O=c1c(-c2ccc(F)cc2)c[nH]c2ccnc(Nc3ccc(Oc4ccnc5cc(OCCN6CCOCC6)ccc45)c(F)c3)c12.
What is the InChIKey of 5-[3-fluoro-4-[7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyanilino]-3-(4-fluorophenyl)-1H-1,6-naphthyridin-4-one?
The InChIKey is ZMXMWKNCZFZTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H29F2N5O4/c36-23-3-1-22(2-4-23)27-21-40-29-9-11-39-35(33(29)34(27)43)41-24-5-8-32(28(37)19-24)46-31-10-12-38-30-20-25(6-7-26(30)31)45-18-15-42-13-16-44-17-14-42/h1-12,19-21H,13-18H2,(H,39,41)(H,40,43).
What are the key properties of 5-[3-fluoro-4-[7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyanilino]-3-(4-fluorophenyl)-1H-1,6-naphthyridin-4-one?
5-[3-fluoro-4-[7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyanilino]-3-(4-fluorophenyl)-1H-1,6-naphthyridin-4-one has a molecular weight of 621.64 g/mol, XLogP of 6.66, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-fluoro-4-[7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyanilino]-3-(4-fluorophenyl)-1H-1,6-naphthyridin-4-one is sourced from PubChem (CID 162664043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).