4-(5-azaspiro[2.5]octan-5-yl)-6-(difluoromethoxy)quinoline-3-carbonitrile

C18H17F2N3O — CID 133481093

IUPAC4-(5-azaspiro[2.5]octan-5-yl)-6-(difluoromethoxy)quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccc(OC(F)F)cc2c1N1CCCC2(CC2)C1
InChIInChI=1S/C18H17F2N3O/c19-17(20)24-13-2-3-15-14(8-13)16(12(9-21)10-22-15)23-7-1-4-18(11-23)5-6-18/h2-3,8,10,17H,1,4-7,11H2
InChIKeyWWQAHULRABZUQZ-UHFFFAOYSA-N
MW329.35 g/mol
LogP4.09
Rot. Bonds3

About 4-(5-azaspiro[2.5]octan-5-yl)-6-(difluoromethoxy)quinoline-3-carbonitrile

4-(5-azaspiro[2.5]octan-5-yl)-6-(difluoromethoxy)quinoline-3-carbonitrile (PubChem CID 133481093) has the molecular formula C18H17F2N3O and a molecular weight of 329.35 g/mol. Its IUPAC name is 4-(5-azaspiro[2.5]octan-5-yl)-6-(difluoromethoxy)quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(5-azaspiro[2.5]octan-5-yl)-6-(difluoromethoxy)quinoline-3-carbonitrile
PubChem CID133481093
Molecular FormulaC18H17F2N3O
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name4-(5-azaspiro[2.5]octan-5-yl)-6-(difluoromethoxy)quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccc(OC(F)F)cc2c1N1CCCC2(CC2)C1
InChIInChI=1S/C18H17F2N3O/c19-17(20)24-13-2-3-15-14(8-13)16(12(9-21)10-22-15)23-7-1-4-18(11-23)5-6-18/h2-3,8,10,17H,1,4-7,11H2
InChIKeyWWQAHULRABZUQZ-UHFFFAOYSA-N
XLogP4.09
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(5-azaspiro[2.5]octan-5-yl)-6-(difluoromethoxy)quinoline-3-carbonitrile with MolForge

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Related Compounds

6-(difluoromethoxy)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)quinoline-3-carbonitrile
CID 60567965
6-(difluoromethoxy)-4-[4-(2-hydroxyethyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 60567902
6-(difluoromethoxy)-4-(4-propanoylpiperazin-1-yl)quinoline-3-carbonitrile
CID 133285331
1-[3-cyano-6-(difluoromethoxy)quinolin-4-yl]-N-methylpiperidine-4-carboxamide
CID 96559315
6-(difluoromethoxy)-4-[4-[2-hydroxyethyl(methyl)amino]piperidin-1-yl]quinoline-3-carbonitrile
CID 133437583
6-(difluoromethoxy)-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]quinoline-3-carbonitrile
CID 133288080
4-(3-methoxy-3-methylpiperidin-1-yl)quinoline-3-carbonitrile
CID 107392588
4-(4,4-dimethylazepan-1-yl)quinoline-3-carbonitrile
CID 65281204
3-[[3-cyano-6-(difluoromethoxy)quinolin-4-yl]-methylamino]-2-methylpropanoic acid
CID 122064920
6-(difluoromethoxy)-4-(6-oxaspiro[4.5]decan-9-ylamino)quinoline-3-carbonitrile
CID 133377746
6-(difluoromethoxy)-4-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propylamino]quinoline-3-carbonitrile
CID 133434055
6-methoxy-4-[4-(piperidine-1-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile
CID 53002458

Frequently Asked Questions

What is the IUPAC name of 4-(5-azaspiro[2.5]octan-5-yl)-6-(difluoromethoxy)quinoline-3-carbonitrile?
The IUPAC name of 4-(5-azaspiro[2.5]octan-5-yl)-6-(difluoromethoxy)quinoline-3-carbonitrile (CID 133481093) is 4-(5-azaspiro[2.5]octan-5-yl)-6-(difluoromethoxy)quinoline-3-carbonitrile.
What is the SMILES notation for 4-(5-azaspiro[2.5]octan-5-yl)-6-(difluoromethoxy)quinoline-3-carbonitrile?
The canonical SMILES for 4-(5-azaspiro[2.5]octan-5-yl)-6-(difluoromethoxy)quinoline-3-carbonitrile is N#Cc1cnc2ccc(OC(F)F)cc2c1N1CCCC2(CC2)C1.
What is the InChIKey of 4-(5-azaspiro[2.5]octan-5-yl)-6-(difluoromethoxy)quinoline-3-carbonitrile?
The InChIKey is WWQAHULRABZUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O/c19-17(20)24-13-2-3-15-14(8-13)16(12(9-21)10-22-15)23-7-1-4-18(11-23)5-6-18/h2-3,8,10,17H,1,4-7,11H2.
What are the key properties of 4-(5-azaspiro[2.5]octan-5-yl)-6-(difluoromethoxy)quinoline-3-carbonitrile?
4-(5-azaspiro[2.5]octan-5-yl)-6-(difluoromethoxy)quinoline-3-carbonitrile has a molecular weight of 329.35 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-azaspiro[2.5]octan-5-yl)-6-(difluoromethoxy)quinoline-3-carbonitrile is sourced from PubChem (CID 133481093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).