6-(difluoromethoxy)-4-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]quinoline-3-carbonitrile

C17H14F2N4OS — CID 133413015

IUPAC6-(difluoromethoxy)-4-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]quinoline-3-carbonitrile
SMILESCN(CCc1nccs1)c1c(C#N)cnc2ccc(OC(F)F)cc12
InChIInChI=1S/C17H14F2N4OS/c1-23(6-4-15-21-5-7-25-15)16-11(9-20)10-22-14-3-2-12(8-13(14)16)24-17(18)19/h2-3,5,7-8,10,17H,4,6H2,1H3
InChIKeyHZUCNRQCYYUUPW-UHFFFAOYSA-N
MW360.39 g/mol
LogP3.84
Rot. Bonds6

About 6-(difluoromethoxy)-4-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]quinoline-3-carbonitrile

6-(difluoromethoxy)-4-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]quinoline-3-carbonitrile (PubChem CID 133413015) has the molecular formula C17H14F2N4OS and a molecular weight of 360.39 g/mol. Its IUPAC name is 6-(difluoromethoxy)-4-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-(difluoromethoxy)-4-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]quinoline-3-carbonitrile
PubChem CID133413015
Molecular FormulaC17H14F2N4OS
Molecular Weight360.39 g/mol
Exact Mass360.09
IUPAC Name6-(difluoromethoxy)-4-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]quinoline-3-carbonitrile
SMILESCN(CCc1nccs1)c1c(C#N)cnc2ccc(OC(F)F)cc12
InChIInChI=1S/C17H14F2N4OS/c1-23(6-4-15-21-5-7-25-15)16-11(9-20)10-22-14-3-2-12(8-13(14)16)24-17(18)19/h2-3,5,7-8,10,17H,4,6H2,1H3
InChIKeyHZUCNRQCYYUUPW-UHFFFAOYSA-N
XLogP3.84
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(difluoromethoxy)-4-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]quinoline-3-carbonitrile with MolForge

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Related Compounds

3-[[3-cyano-6-(difluoromethoxy)quinolin-4-yl]-methylamino]-2-methylpropanoic acid
CID 122064920
6-(difluoromethoxy)-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]quinoline-3-carbonitrile
CID 133288080
6-(difluoromethoxy)-4-[4-[2-hydroxyethyl(methyl)amino]piperidin-1-yl]quinoline-3-carbonitrile
CID 133437583
5-fluoro-2-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]benzonitrile
CID 133413095
6-methoxy-4-(1,3-thiazol-2-ylmethylamino)quinoline-3-carbonitrile
CID 91953514
6-(difluoromethoxy)-4-(4-propanoylpiperazin-1-yl)quinoline-3-carbonitrile
CID 133285331
6-(difluoromethoxy)-4-[4-(2-hydroxyethyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 60567902
6-(difluoromethoxy)-4-(2-pyrazol-1-ylethylamino)quinoline-3-carbonitrile
CID 133294101
3-[[3-cyano-6-(difluoromethoxy)quinolin-4-yl]amino]-2-hydroxy-2-methylpropanoic acid
CID 122060998
6-(difluoromethoxy)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)quinoline-3-carbonitrile
CID 60567965
4-(5-azaspiro[2.5]octan-5-yl)-6-(difluoromethoxy)quinoline-3-carbonitrile
CID 133481093
1-[3-cyano-6-(difluoromethoxy)quinolin-4-yl]-N-methylpiperidine-4-carboxamide
CID 96559315

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethoxy)-4-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]quinoline-3-carbonitrile?
The IUPAC name of 6-(difluoromethoxy)-4-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]quinoline-3-carbonitrile (CID 133413015) is 6-(difluoromethoxy)-4-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]quinoline-3-carbonitrile.
What is the SMILES notation for 6-(difluoromethoxy)-4-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]quinoline-3-carbonitrile?
The canonical SMILES for 6-(difluoromethoxy)-4-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]quinoline-3-carbonitrile is CN(CCc1nccs1)c1c(C#N)cnc2ccc(OC(F)F)cc12.
What is the InChIKey of 6-(difluoromethoxy)-4-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]quinoline-3-carbonitrile?
The InChIKey is HZUCNRQCYYUUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4OS/c1-23(6-4-15-21-5-7-25-15)16-11(9-20)10-22-14-3-2-12(8-13(14)16)24-17(18)19/h2-3,5,7-8,10,17H,4,6H2,1H3.
What are the key properties of 6-(difluoromethoxy)-4-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]quinoline-3-carbonitrile?
6-(difluoromethoxy)-4-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]quinoline-3-carbonitrile has a molecular weight of 360.39 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethoxy)-4-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]quinoline-3-carbonitrile is sourced from PubChem (CID 133413015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).