8-[[7-(3-cyano-2-oxo-1H-quinolin-4-yl)-7-azaspiro[3.5]nonan-2-yl]methoxy]-4-(2,2-difluoro-7-azaspiro[3.5]nonan-7-yl)-2-oxo-1H-quinoline-3-carbonitrile

C37H36F2N6O3 — CID 166985758

IUPAC8-[[7-(3-cyano-2-oxo-1H-quinolin-4-yl)-7-azaspiro[3.5]nonan-2-yl]methoxy]-4-(2,2-difluoro-7-azaspiro[3.5]nonan-7-yl)-2-oxo-1H-quinoline-3-carbonitrile
SMILESN#Cc1c(N2CCC3(CC2)CC(COc2cccc4c(N5CCC6(CC5)CC(F)(F)C6)c(C#N)c(=O)[nH]c24)C3)c2ccccc2[nH]c1=O
InChIInChI=1S/C37H36F2N6O3/c38-37(39)21-36(22-37)10-14-45(15-11-36)32-25-5-3-7-29(30(25)43-34(47)27(32)19-41)48-20-23-16-35(17-23)8-12-44(13-9-35)31-24-4-1-2-6-28(24)42-33(46)26(31)18-40/h1-7,23H,8-17,20-22H2,(H,42,46)(H,43,47)
InChIKeyJZBHDFYJQKVPCQ-UHFFFAOYSA-N
MW650.73 g/mol
LogP6.20
Rot. Bonds5

About 8-[[7-(3-cyano-2-oxo-1H-quinolin-4-yl)-7-azaspiro[3.5]nonan-2-yl]methoxy]-4-(2,2-difluoro-7-azaspiro[3.5]nonan-7-yl)-2-oxo-1H-quinoline-3-carbonitrile

8-[[7-(3-cyano-2-oxo-1H-quinolin-4-yl)-7-azaspiro[3.5]nonan-2-yl]methoxy]-4-(2,2-difluoro-7-azaspiro[3.5]nonan-7-yl)-2-oxo-1H-quinoline-3-carbonitrile (PubChem CID 166985758) has the molecular formula C37H36F2N6O3 and a molecular weight of 650.73 g/mol. Its IUPAC name is 8-[[7-(3-cyano-2-oxo-1H-quinolin-4-yl)-7-azaspiro[3.5]nonan-2-yl]methoxy]-4-(2,2-difluoro-7-azaspiro[3.5]nonan-7-yl)-2-oxo-1H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name8-[[7-(3-cyano-2-oxo-1H-quinolin-4-yl)-7-azaspiro[3.5]nonan-2-yl]methoxy]-4-(2,2-difluoro-7-azaspiro[3.5]nonan-7-yl)-2-oxo-1H-quinoline-3-carbonitrile
PubChem CID166985758
Molecular FormulaC37H36F2N6O3
Molecular Weight650.73 g/mol
Exact Mass650.28
IUPAC Name8-[[7-(3-cyano-2-oxo-1H-quinolin-4-yl)-7-azaspiro[3.5]nonan-2-yl]methoxy]-4-(2,2-difluoro-7-azaspiro[3.5]nonan-7-yl)-2-oxo-1H-quinoline-3-carbonitrile
SMILESN#Cc1c(N2CCC3(CC2)CC(COc2cccc4c(N5CCC6(CC5)CC(F)(F)C6)c(C#N)c(=O)[nH]c24)C3)c2ccccc2[nH]c1=O
InChIInChI=1S/C37H36F2N6O3/c38-37(39)21-36(22-37)10-14-45(15-11-36)32-25-5-3-7-29(30(25)43-34(47)27(32)19-41)48-20-23-16-35(17-23)8-12-44(13-9-35)31-24-4-1-2-6-28(24)42-33(46)26(31)18-40/h1-7,23H,8-17,20-22H2,(H,42,46)(H,43,47)
InChIKeyJZBHDFYJQKVPCQ-UHFFFAOYSA-N
XLogP6.20
TPSA129.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.73
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 8-[[7-(3-cyano-2-oxo-1H-quinolin-4-yl)-7-azaspiro[3.5]nonan-2-yl]methoxy]-4-(2,2-difluoro-7-azaspiro[3.5]nonan-7-yl)-2-oxo-1H-quinoline-3-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

4-(4,4-dimethylpiperidin-1-yl)-2-oxo-1H-quinoline-3-carbonitrile
CID 126507552
4-(4,4-difluoropiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
CID 166865983
4-(6-azaspiro[2.5]octan-6-yl)-6-methoxy-2-oxo-1H-quinoline-3-carbonitrile
CID 154993307
4-(5-azaspiro[2.4]heptan-5-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
CID 155019364
4-(2-hydroxy-2-methyl-7-azaspiro[3.5]nonan-7-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
CID 155467674
4-(6-azaspiro[2.5]octan-6-yl)-2-oxo-6-(2,2,2-trifluoro-1-hydroxyethyl)-1H-quinoline-3-carbonitrile
CID 154993566
4-(7-azaspiro[3.5]nonan-7-yl)-6-methyl-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
CID 138518196
6-chloro-4-(4-ethyl-4-methoxypiperidin-1-yl)-2-oxo-1H-quinoline-3-carbonitrile
CID 154993581
4-(6-azaspiro[2.5]octan-6-yl)-3-cyano-N-(2-methoxyethyl)-2-oxo-1H-quinoline-6-carboxamide
CID 154993590
4-(6-azaspiro[2.5]octan-6-yl)-N-(azetidin-3-yl)-3-cyano-2-oxo-1H-quinoline-6-carboxamide
CID 166985671
4-(6-azaspiro[2.5]octan-6-yl)-3-cyano-N-ethyl-2-oxo-1H-1,7-naphthyridine-6-carboxamide
CID 155032193
4-(2-azaspiro[4.5]decan-2-yl)-3-ethynyl-1H-quinolin-2-one
CID 163971769

Frequently Asked Questions

What is the IUPAC name of 8-[[7-(3-cyano-2-oxo-1H-quinolin-4-yl)-7-azaspiro[3.5]nonan-2-yl]methoxy]-4-(2,2-difluoro-7-azaspiro[3.5]nonan-7-yl)-2-oxo-1H-quinoline-3-carbonitrile?
The IUPAC name of 8-[[7-(3-cyano-2-oxo-1H-quinolin-4-yl)-7-azaspiro[3.5]nonan-2-yl]methoxy]-4-(2,2-difluoro-7-azaspiro[3.5]nonan-7-yl)-2-oxo-1H-quinoline-3-carbonitrile (CID 166985758) is 8-[[7-(3-cyano-2-oxo-1H-quinolin-4-yl)-7-azaspiro[3.5]nonan-2-yl]methoxy]-4-(2,2-difluoro-7-azaspiro[3.5]nonan-7-yl)-2-oxo-1H-quinoline-3-carbonitrile.
What is the SMILES notation for 8-[[7-(3-cyano-2-oxo-1H-quinolin-4-yl)-7-azaspiro[3.5]nonan-2-yl]methoxy]-4-(2,2-difluoro-7-azaspiro[3.5]nonan-7-yl)-2-oxo-1H-quinoline-3-carbonitrile?
The canonical SMILES for 8-[[7-(3-cyano-2-oxo-1H-quinolin-4-yl)-7-azaspiro[3.5]nonan-2-yl]methoxy]-4-(2,2-difluoro-7-azaspiro[3.5]nonan-7-yl)-2-oxo-1H-quinoline-3-carbonitrile is N#Cc1c(N2CCC3(CC2)CC(COc2cccc4c(N5CCC6(CC5)CC(F)(F)C6)c(C#N)c(=O)[nH]c24)C3)c2ccccc2[nH]c1=O.
What is the InChIKey of 8-[[7-(3-cyano-2-oxo-1H-quinolin-4-yl)-7-azaspiro[3.5]nonan-2-yl]methoxy]-4-(2,2-difluoro-7-azaspiro[3.5]nonan-7-yl)-2-oxo-1H-quinoline-3-carbonitrile?
The InChIKey is JZBHDFYJQKVPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H36F2N6O3/c38-37(39)21-36(22-37)10-14-45(15-11-36)32-25-5-3-7-29(30(25)43-34(47)27(32)19-41)48-20-23-16-35(17-23)8-12-44(13-9-35)31-24-4-1-2-6-28(24)42-33(46)26(31)18-40/h1-7,23H,8-17,20-22H2,(H,42,46)(H,43,47).
What are the key properties of 8-[[7-(3-cyano-2-oxo-1H-quinolin-4-yl)-7-azaspiro[3.5]nonan-2-yl]methoxy]-4-(2,2-difluoro-7-azaspiro[3.5]nonan-7-yl)-2-oxo-1H-quinoline-3-carbonitrile?
8-[[7-(3-cyano-2-oxo-1H-quinolin-4-yl)-7-azaspiro[3.5]nonan-2-yl]methoxy]-4-(2,2-difluoro-7-azaspiro[3.5]nonan-7-yl)-2-oxo-1H-quinoline-3-carbonitrile has a molecular weight of 650.73 g/mol, XLogP of 6.20, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[7-(3-cyano-2-oxo-1H-quinolin-4-yl)-7-azaspiro[3.5]nonan-2-yl]methoxy]-4-(2,2-difluoro-7-azaspiro[3.5]nonan-7-yl)-2-oxo-1H-quinoline-3-carbonitrile is sourced from PubChem (CID 166985758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).