6-(difluoromethoxy)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)quinoline-3-carbonitrile

C18H17F2N3O3 — CID 60567965

IUPAC6-(difluoromethoxy)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccc(OC(F)F)cc2c1N1CCC2(CC1)OCCO2
InChIInChI=1S/C18H17F2N3O3/c19-17(20)26-13-1-2-15-14(9-13)16(12(10-21)11-22-15)23-5-3-18(4-6-23)24-7-8-25-18/h1-2,9,11,17H,3-8H2
InChIKeyPNGZPEUWHJIKRY-UHFFFAOYSA-N
MW361.35 g/mol
LogP3.05
Rot. Bonds3

About 6-(difluoromethoxy)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)quinoline-3-carbonitrile

6-(difluoromethoxy)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)quinoline-3-carbonitrile (PubChem CID 60567965) has the molecular formula C18H17F2N3O3 and a molecular weight of 361.35 g/mol. Its IUPAC name is 6-(difluoromethoxy)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-(difluoromethoxy)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)quinoline-3-carbonitrile
PubChem CID60567965
Molecular FormulaC18H17F2N3O3
Molecular Weight361.35 g/mol
Exact Mass361.12
IUPAC Name6-(difluoromethoxy)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccc(OC(F)F)cc2c1N1CCC2(CC1)OCCO2
InChIInChI=1S/C18H17F2N3O3/c19-17(20)26-13-1-2-15-14(9-13)16(12(10-21)11-22-15)23-5-3-18(4-6-23)24-7-8-25-18/h1-2,9,11,17H,3-8H2
InChIKeyPNGZPEUWHJIKRY-UHFFFAOYSA-N
XLogP3.05
TPSA67.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethoxy)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)quinoline-3-carbonitrile?
The IUPAC name of 6-(difluoromethoxy)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)quinoline-3-carbonitrile (CID 60567965) is 6-(difluoromethoxy)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)quinoline-3-carbonitrile.
What is the SMILES notation for 6-(difluoromethoxy)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)quinoline-3-carbonitrile?
The canonical SMILES for 6-(difluoromethoxy)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)quinoline-3-carbonitrile is N#Cc1cnc2ccc(OC(F)F)cc2c1N1CCC2(CC1)OCCO2.
What is the InChIKey of 6-(difluoromethoxy)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)quinoline-3-carbonitrile?
The InChIKey is PNGZPEUWHJIKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O3/c19-17(20)26-13-1-2-15-14(9-13)16(12(10-21)11-22-15)23-5-3-18(4-6-23)24-7-8-25-18/h1-2,9,11,17H,3-8H2.
What are the key properties of 6-(difluoromethoxy)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)quinoline-3-carbonitrile?
6-(difluoromethoxy)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)quinoline-3-carbonitrile has a molecular weight of 361.35 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethoxy)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)quinoline-3-carbonitrile is sourced from PubChem (CID 60567965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).