2-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)quinoline-4-carbonitrile

C17H15F2N3 — CID 172905698

IUPAC2-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)quinoline-4-carbonitrile
SMILESN#Cc1cc(N2CCCC3(C2)CC3(F)F)nc2ccccc12
InChIInChI=1S/C17H15F2N3/c18-17(19)10-16(17)6-3-7-22(11-16)15-8-12(9-20)13-4-1-2-5-14(13)21-15/h1-2,4-5,8H,3,6-7,10-11H2
InChIKeyMLAMFEQVNRGBMJ-UHFFFAOYSA-N
MW299.32 g/mol
LogP3.73
Rot. Bonds1

About 2-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)quinoline-4-carbonitrile

2-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)quinoline-4-carbonitrile (PubChem CID 172905698) has the molecular formula C17H15F2N3 and a molecular weight of 299.32 g/mol. Its IUPAC name is 2-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)quinoline-4-carbonitrile.

Molecular Properties

Compound Name2-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)quinoline-4-carbonitrile
PubChem CID172905698
Molecular FormulaC17H15F2N3
Molecular Weight299.32 g/mol
Exact Mass299.12
IUPAC Name2-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)quinoline-4-carbonitrile
SMILESN#Cc1cc(N2CCCC3(C2)CC3(F)F)nc2ccccc12
InChIInChI=1S/C17H15F2N3/c18-17(19)10-16(17)6-3-7-22(11-16)15-8-12(9-20)13-4-1-2-5-14(13)21-15/h1-2,4-5,8H,3,6-7,10-11H2
InChIKeyMLAMFEQVNRGBMJ-UHFFFAOYSA-N
XLogP3.73
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-hydroxy-3-methylpiperidin-1-yl)quinoline-4-carbonitrile
CID 115871328
2-(4-methyl-1,4-diazepan-1-yl)quinoline-4-carbonitrile
CID 63883709
2-(4-aminopiperidin-1-yl)quinoline-4-carbonitrile
CID 63884859
2-(3-formylpiperidin-1-yl)quinoline-4-carbonitrile
CID 63883511
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinoline-4-carbonitrile
CID 66371449
2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]quinoline-4-carbonitrile
CID 146074701
2-[4-[4-(dimethylamino)pyrimidin-2-yl]piperazin-1-yl]quinoline-4-carbonitrile
CID 146079981
2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]quinoline-4-carbonitrile
CID 171334885
2-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]quinoline-4-carbonitrile
CID 127485716
N-tert-butyl-1-(4-cyanoquinolin-2-yl)piperidine-3-carboxamide
CID 165435188
2-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]quinoline-4-carbonitrile
CID 127386584
2-(2-ethylthiomorpholin-4-yl)quinoline-4-carbonitrile
CID 115658711

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)quinoline-4-carbonitrile?
The IUPAC name of 2-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)quinoline-4-carbonitrile (CID 172905698) is 2-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)quinoline-4-carbonitrile.
What is the SMILES notation for 2-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)quinoline-4-carbonitrile?
The canonical SMILES for 2-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)quinoline-4-carbonitrile is N#Cc1cc(N2CCCC3(C2)CC3(F)F)nc2ccccc12.
What is the InChIKey of 2-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)quinoline-4-carbonitrile?
The InChIKey is MLAMFEQVNRGBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3/c18-17(19)10-16(17)6-3-7-22(11-16)15-8-12(9-20)13-4-1-2-5-14(13)21-15/h1-2,4-5,8H,3,6-7,10-11H2.
What are the key properties of 2-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)quinoline-4-carbonitrile?
2-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)quinoline-4-carbonitrile has a molecular weight of 299.32 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)quinoline-4-carbonitrile is sourced from PubChem (CID 172905698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).