6-(difluoromethoxy)-4-(6-oxaspiro[4.5]decan-9-ylamino)quinoline-3-carbonitrile

C20H21F2N3O2 — CID 133377746

IUPAC6-(difluoromethoxy)-4-(6-oxaspiro[4.5]decan-9-ylamino)quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccc(OC(F)F)cc2c1NC1CCOC2(CCCC2)C1
InChIInChI=1S/C20H21F2N3O2/c21-19(22)27-15-3-4-17-16(9-15)18(13(11-23)12-24-17)25-14-5-8-26-20(10-14)6-1-2-7-20/h3-4,9,12,14,19H,1-2,5-8,10H2,(H,24,25)
InChIKeyNBJJAPCJPRJRLQ-UHFFFAOYSA-N
MW373.40 g/mol
LogP4.61
Rot. Bonds4

About 6-(difluoromethoxy)-4-(6-oxaspiro[4.5]decan-9-ylamino)quinoline-3-carbonitrile

6-(difluoromethoxy)-4-(6-oxaspiro[4.5]decan-9-ylamino)quinoline-3-carbonitrile (PubChem CID 133377746) has the molecular formula C20H21F2N3O2 and a molecular weight of 373.40 g/mol. Its IUPAC name is 6-(difluoromethoxy)-4-(6-oxaspiro[4.5]decan-9-ylamino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-(difluoromethoxy)-4-(6-oxaspiro[4.5]decan-9-ylamino)quinoline-3-carbonitrile
PubChem CID133377746
Molecular FormulaC20H21F2N3O2
Molecular Weight373.40 g/mol
Exact Mass373.16
IUPAC Name6-(difluoromethoxy)-4-(6-oxaspiro[4.5]decan-9-ylamino)quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccc(OC(F)F)cc2c1NC1CCOC2(CCCC2)C1
InChIInChI=1S/C20H21F2N3O2/c21-19(22)27-15-3-4-17-16(9-15)18(13(11-23)12-24-17)25-14-5-8-26-20(10-14)6-1-2-7-20/h3-4,9,12,14,19H,1-2,5-8,10H2,(H,24,25)
InChIKeyNBJJAPCJPRJRLQ-UHFFFAOYSA-N
XLogP4.61
TPSA67.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(difluoromethoxy)-4-(6-oxaspiro[4.5]decan-9-ylamino)quinoline-3-carbonitrile with MolForge

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Related Compounds

4-(1-oxaspiro[5.5]undecan-4-ylamino)quinoline-3-carbonitrile
CID 133378036
methyl 4-[[3-cyano-6-(difluoromethoxy)quinolin-4-yl]amino]piperidine-1-carboxylate
CID 133273498
6-chloro-4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)quinoline-3-carbonitrile
CID 127602951
6-(difluoromethoxy)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)quinoline-3-carbonitrile
CID 60567965
6-(difluoromethoxy)-4-[[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]methylamino]quinoline-3-carbonitrile
CID 100627553
4-[(1-cyclopentylpyrazol-3-yl)methylamino]-6-(difluoromethoxy)quinoline-3-carbonitrile
CID 133386076
3,5-difluoro-4-(1-oxaspiro[5.5]undecan-4-ylamino)benzonitrile
CID 133377939
3-[[3-cyano-6-(difluoromethoxy)quinolin-4-yl]amino]-2-hydroxy-2-methylpropanoic acid
CID 122060998
6-fluoro-N-(6-oxaspiro[4.5]decan-9-yl)quinazolin-4-amine
CID 133377625
4-(5-azaspiro[2.5]octan-5-yl)-6-(difluoromethoxy)quinoline-3-carbonitrile
CID 133481093
6-nitro-2-(1-oxaspiro[5.5]undecan-4-ylamino)quinoline-4-carbonitrile
CID 133377952
5-chloro-2-(6-oxaspiro[4.5]decan-9-ylamino)benzonitrile
CID 133377675

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethoxy)-4-(6-oxaspiro[4.5]decan-9-ylamino)quinoline-3-carbonitrile?
The IUPAC name of 6-(difluoromethoxy)-4-(6-oxaspiro[4.5]decan-9-ylamino)quinoline-3-carbonitrile (CID 133377746) is 6-(difluoromethoxy)-4-(6-oxaspiro[4.5]decan-9-ylamino)quinoline-3-carbonitrile.
What is the SMILES notation for 6-(difluoromethoxy)-4-(6-oxaspiro[4.5]decan-9-ylamino)quinoline-3-carbonitrile?
The canonical SMILES for 6-(difluoromethoxy)-4-(6-oxaspiro[4.5]decan-9-ylamino)quinoline-3-carbonitrile is N#Cc1cnc2ccc(OC(F)F)cc2c1NC1CCOC2(CCCC2)C1.
What is the InChIKey of 6-(difluoromethoxy)-4-(6-oxaspiro[4.5]decan-9-ylamino)quinoline-3-carbonitrile?
The InChIKey is NBJJAPCJPRJRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O2/c21-19(22)27-15-3-4-17-16(9-15)18(13(11-23)12-24-17)25-14-5-8-26-20(10-14)6-1-2-7-20/h3-4,9,12,14,19H,1-2,5-8,10H2,(H,24,25).
What are the key properties of 6-(difluoromethoxy)-4-(6-oxaspiro[4.5]decan-9-ylamino)quinoline-3-carbonitrile?
6-(difluoromethoxy)-4-(6-oxaspiro[4.5]decan-9-ylamino)quinoline-3-carbonitrile has a molecular weight of 373.40 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethoxy)-4-(6-oxaspiro[4.5]decan-9-ylamino)quinoline-3-carbonitrile is sourced from PubChem (CID 133377746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).