6-(difluoromethoxy)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)quinoline-3-carbonitrile

C18H13F2N3OS — CID 60567691

IUPAC6-(difluoromethoxy)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccc(OC(F)F)cc2c1N1CCc2sccc2C1
InChIInChI=1S/C18H13F2N3OS/c19-18(20)24-13-1-2-15-14(7-13)17(12(8-21)9-22-15)23-5-3-16-11(10-23)4-6-25-16/h1-2,4,6-7,9,18H,3,5,10H2
InChIKeySKHPXDOZJPVWPM-UHFFFAOYSA-N
MW357.38 g/mol
LogP4.33
Rot. Bonds3

About 6-(difluoromethoxy)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)quinoline-3-carbonitrile

6-(difluoromethoxy)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)quinoline-3-carbonitrile (PubChem CID 60567691) has the molecular formula C18H13F2N3OS and a molecular weight of 357.38 g/mol. Its IUPAC name is 6-(difluoromethoxy)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-(difluoromethoxy)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)quinoline-3-carbonitrile
PubChem CID60567691
Molecular FormulaC18H13F2N3OS
Molecular Weight357.38 g/mol
Exact Mass357.07
IUPAC Name6-(difluoromethoxy)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccc(OC(F)F)cc2c1N1CCc2sccc2C1
InChIInChI=1S/C18H13F2N3OS/c19-18(20)24-13-1-2-15-14(7-13)17(12(8-21)9-22-15)23-5-3-16-11(10-23)4-6-25-16/h1-2,4,6-7,9,18H,3,5,10H2
InChIKeySKHPXDOZJPVWPM-UHFFFAOYSA-N
XLogP4.33
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethoxy)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)quinoline-3-carbonitrile?
The IUPAC name of 6-(difluoromethoxy)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)quinoline-3-carbonitrile (CID 60567691) is 6-(difluoromethoxy)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)quinoline-3-carbonitrile.
What is the SMILES notation for 6-(difluoromethoxy)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)quinoline-3-carbonitrile?
The canonical SMILES for 6-(difluoromethoxy)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)quinoline-3-carbonitrile is N#Cc1cnc2ccc(OC(F)F)cc2c1N1CCc2sccc2C1.
What is the InChIKey of 6-(difluoromethoxy)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)quinoline-3-carbonitrile?
The InChIKey is SKHPXDOZJPVWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N3OS/c19-18(20)24-13-1-2-15-14(7-13)17(12(8-21)9-22-15)23-5-3-16-11(10-23)4-6-25-16/h1-2,4,6-7,9,18H,3,5,10H2.
What are the key properties of 6-(difluoromethoxy)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)quinoline-3-carbonitrile?
6-(difluoromethoxy)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)quinoline-3-carbonitrile has a molecular weight of 357.38 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethoxy)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)quinoline-3-carbonitrile is sourced from PubChem (CID 60567691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).