6-(difluoromethoxy)-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]quinoline-3-carbonitrile

C19H22F2N4O — CID 133288080

IUPAC6-(difluoromethoxy)-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]quinoline-3-carbonitrile
SMILESCN1CCC(CN(C)c2c(C#N)cnc3ccc(OC(F)F)cc23)CC1
InChIInChI=1S/C19H22F2N4O/c1-24-7-5-13(6-8-24)12-25(2)18-14(10-22)11-23-17-4-3-15(9-16(17)18)26-19(20)21/h3-4,9,11,13,19H,5-8,12H2,1-2H3
InChIKeyLBRSCJJIBFBGRK-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.49
Rot. Bonds5

About 6-(difluoromethoxy)-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]quinoline-3-carbonitrile

6-(difluoromethoxy)-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]quinoline-3-carbonitrile (PubChem CID 133288080) has the molecular formula C19H22F2N4O and a molecular weight of 360.41 g/mol. Its IUPAC name is 6-(difluoromethoxy)-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-(difluoromethoxy)-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]quinoline-3-carbonitrile
PubChem CID133288080
Molecular FormulaC19H22F2N4O
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name6-(difluoromethoxy)-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]quinoline-3-carbonitrile
SMILESCN1CCC(CN(C)c2c(C#N)cnc3ccc(OC(F)F)cc23)CC1
InChIInChI=1S/C19H22F2N4O/c1-24-7-5-13(6-8-24)12-25(2)18-14(10-22)11-23-17-4-3-15(9-16(17)18)26-19(20)21/h3-4,9,11,13,19H,5-8,12H2,1-2H3
InChIKeyLBRSCJJIBFBGRK-UHFFFAOYSA-N
XLogP3.49
TPSA52.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(difluoromethoxy)-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]quinoline-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(difluoromethoxy)-4-[4-[2-hydroxyethyl(methyl)amino]piperidin-1-yl]quinoline-3-carbonitrile
CID 133437583
3-[[3-cyano-6-(difluoromethoxy)quinolin-4-yl]-methylamino]-2-methylpropanoic acid
CID 122064920
6-(difluoromethoxy)-4-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]quinoline-3-carbonitrile
CID 133413015
6-(difluoromethoxy)-4-[4-(2-hydroxyethyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 60567902
6-(difluoromethoxy)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)quinoline-3-carbonitrile
CID 60567965
1-[3-cyano-6-(difluoromethoxy)quinolin-4-yl]-N-methylpiperidine-4-carboxamide
CID 96559315
6-(difluoromethoxy)-4-(4-propanoylpiperazin-1-yl)quinoline-3-carbonitrile
CID 133285331
4-[cyclobutylmethyl(methyl)amino]quinoline-3-carbonitrile
CID 62861012
4-(5-azaspiro[2.5]octan-5-yl)-6-(difluoromethoxy)quinoline-3-carbonitrile
CID 133481093
methyl 4-[[3-cyano-6-(difluoromethoxy)quinolin-4-yl]amino]piperidine-1-carboxylate
CID 133273498
4-[(1-cyclopentylpyrazol-3-yl)methylamino]-6-(difluoromethoxy)quinoline-3-carbonitrile
CID 133386076
6-(difluoromethoxy)-4-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propylamino]quinoline-3-carbonitrile
CID 133434055

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethoxy)-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]quinoline-3-carbonitrile?
The IUPAC name of 6-(difluoromethoxy)-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]quinoline-3-carbonitrile (CID 133288080) is 6-(difluoromethoxy)-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]quinoline-3-carbonitrile.
What is the SMILES notation for 6-(difluoromethoxy)-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]quinoline-3-carbonitrile?
The canonical SMILES for 6-(difluoromethoxy)-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]quinoline-3-carbonitrile is CN1CCC(CN(C)c2c(C#N)cnc3ccc(OC(F)F)cc23)CC1.
What is the InChIKey of 6-(difluoromethoxy)-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]quinoline-3-carbonitrile?
The InChIKey is LBRSCJJIBFBGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N4O/c1-24-7-5-13(6-8-24)12-25(2)18-14(10-22)11-23-17-4-3-15(9-16(17)18)26-19(20)21/h3-4,9,11,13,19H,5-8,12H2,1-2H3.
What are the key properties of 6-(difluoromethoxy)-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]quinoline-3-carbonitrile?
6-(difluoromethoxy)-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]quinoline-3-carbonitrile has a molecular weight of 360.41 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethoxy)-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]quinoline-3-carbonitrile is sourced from PubChem (CID 133288080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).