4-[2-fluoro-4-[2-[5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridin-7-yl]-2-oxoethyl]phenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carbonitrile

C37H30F2N4O6 — CID 167599329

IUPAC4-[2-fluoro-4-[2-[5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridin-7-yl]-2-oxoethyl]phenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carbonitrile
SMILESN#Cc1cc2c(Oc3ccc(CC(=O)c4c5c(cn(-c6ccc(F)cc6)c4=O)CCO5)cc3F)ccnc2cc1OCCN1CCOCC1
InChIInChI=1S/C37H30F2N4O6/c38-26-2-4-27(5-3-26)43-22-24-8-13-48-36(24)35(37(43)45)31(44)18-23-1-6-33(29(39)17-23)49-32-7-9-41-30-20-34(25(21-40)19-28(30)32)47-16-12-42-10-14-46-15-11-42/h1-7,9,17,19-20,22H,8,10-16,18H2
InChIKeyJMXHIMRKKRPPQO-UHFFFAOYSA-N
MW664.67 g/mol
LogP5.40
Rot. Bonds10

About 4-[2-fluoro-4-[2-[5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridin-7-yl]-2-oxoethyl]phenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carbonitrile

4-[2-fluoro-4-[2-[5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridin-7-yl]-2-oxoethyl]phenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carbonitrile (PubChem CID 167599329) has the molecular formula C37H30F2N4O6 and a molecular weight of 664.67 g/mol. Its IUPAC name is 4-[2-fluoro-4-[2-[5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridin-7-yl]-2-oxoethyl]phenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carbonitrile.

Molecular Properties

Compound Name4-[2-fluoro-4-[2-[5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridin-7-yl]-2-oxoethyl]phenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carbonitrile
PubChem CID167599329
Molecular FormulaC37H30F2N4O6
Molecular Weight664.67 g/mol
Exact Mass664.21
IUPAC Name4-[2-fluoro-4-[2-[5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridin-7-yl]-2-oxoethyl]phenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carbonitrile
SMILESN#Cc1cc2c(Oc3ccc(CC(=O)c4c5c(cn(-c6ccc(F)cc6)c4=O)CCO5)cc3F)ccnc2cc1OCCN1CCOCC1
InChIInChI=1S/C37H30F2N4O6/c38-26-2-4-27(5-3-26)43-22-24-8-13-48-36(24)35(37(43)45)31(44)18-23-1-6-33(29(39)17-23)49-32-7-9-41-30-20-34(25(21-40)19-28(30)32)47-16-12-42-10-14-46-15-11-42/h1-7,9,17,19-20,22H,8,10-16,18H2
InChIKeyJMXHIMRKKRPPQO-UHFFFAOYSA-N
XLogP5.40
TPSA115.91 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.67
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 4-[2-fluoro-4-[2-[5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridin-7-yl]-2-oxoethyl]phenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carbonitrile with MolForge

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Related Compounds

N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide
CID 155779514
5-(4-fluorophenyl)-7-[2-(3-fluoro-4-pyrazolo[1,5-a]pyrimidin-7-yloxyphenyl)acetyl]-2,3-dihydrofuro[3,2-c]pyridin-6-one
CID 167612571
N-[3-fluoro-4-[6-methoxy-7-[3-(4-methylpiperidin-1-yl)propoxy]quinolin-4-yl]oxyphenyl]-5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide
CID 155779517
7-[2-[3-fluoro-4-[2-[5-[(3-methylazetidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]-5-(4-fluorophenyl)-2,3-dihydrofuro[3,2-c]pyridin-6-one
CID 167627134
(3S)-3-[2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]acetyl]-1-(4-fluorophenyl)-3-methylpyrrolidin-2-one
CID 58170154
N-[[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]carbamothioyl]-2-(4-fluorophenyl)acetamide
CID 59791935
4-[2-[3-fluoro-4-[[3-(2-morpholin-4-ylethoxy)-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]acetyl]-2-(4-fluorophenyl)pyridazin-3-one
CID 58286882
1-[4-[6-cyano-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea
CID 22936388
3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-4,5-dimethylpyridin-2-one
CID 167703742
3-benzyl-1-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-4-hydroxyimidazol-2-one
CID 90926764
1-[1-[2-[3-fluoro-4-[6-methoxy-7-[[2-(morpholin-4-ylmethyl)cyclopropyl]methoxy]quinolin-4-yl]oxyphenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone
CID 161191933
N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 155679200

Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-4-[2-[5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridin-7-yl]-2-oxoethyl]phenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carbonitrile?
The IUPAC name of 4-[2-fluoro-4-[2-[5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridin-7-yl]-2-oxoethyl]phenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carbonitrile (CID 167599329) is 4-[2-fluoro-4-[2-[5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridin-7-yl]-2-oxoethyl]phenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carbonitrile.
What is the SMILES notation for 4-[2-fluoro-4-[2-[5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridin-7-yl]-2-oxoethyl]phenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carbonitrile?
The canonical SMILES for 4-[2-fluoro-4-[2-[5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridin-7-yl]-2-oxoethyl]phenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carbonitrile is N#Cc1cc2c(Oc3ccc(CC(=O)c4c5c(cn(-c6ccc(F)cc6)c4=O)CCO5)cc3F)ccnc2cc1OCCN1CCOCC1.
What is the InChIKey of 4-[2-fluoro-4-[2-[5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridin-7-yl]-2-oxoethyl]phenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carbonitrile?
The InChIKey is JMXHIMRKKRPPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H30F2N4O6/c38-26-2-4-27(5-3-26)43-22-24-8-13-48-36(24)35(37(43)45)31(44)18-23-1-6-33(29(39)17-23)49-32-7-9-41-30-20-34(25(21-40)19-28(30)32)47-16-12-42-10-14-46-15-11-42/h1-7,9,17,19-20,22H,8,10-16,18H2.
What are the key properties of 4-[2-fluoro-4-[2-[5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridin-7-yl]-2-oxoethyl]phenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carbonitrile?
4-[2-fluoro-4-[2-[5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridin-7-yl]-2-oxoethyl]phenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carbonitrile has a molecular weight of 664.67 g/mol, XLogP of 5.40, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-4-[2-[5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridin-7-yl]-2-oxoethyl]phenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carbonitrile is sourced from PubChem (CID 167599329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).