6-(difluoromethoxy)-4-[4-[2-hydroxyethyl(methyl)amino]piperidin-1-yl]quinoline-3-carbonitrile

C19H22F2N4O2 — CID 133437583

IUPAC6-(difluoromethoxy)-4-[4-[2-hydroxyethyl(methyl)amino]piperidin-1-yl]quinoline-3-carbonitrile
SMILESCN(CCO)C1CCN(c2c(C#N)cnc3ccc(OC(F)F)cc23)CC1
InChIInChI=1S/C19H22F2N4O2/c1-24(8-9-26)14-4-6-25(7-5-14)18-13(11-22)12-23-17-3-2-15(10-16(17)18)27-19(20)21/h2-3,10,12,14,19,26H,4-9H2,1H3
InChIKeyPFNAMUMOPCSMBN-UHFFFAOYSA-N
MW376.41 g/mol
LogP2.60
Rot. Bonds6

About 6-(difluoromethoxy)-4-[4-[2-hydroxyethyl(methyl)amino]piperidin-1-yl]quinoline-3-carbonitrile

6-(difluoromethoxy)-4-[4-[2-hydroxyethyl(methyl)amino]piperidin-1-yl]quinoline-3-carbonitrile (PubChem CID 133437583) has the molecular formula C19H22F2N4O2 and a molecular weight of 376.41 g/mol. Its IUPAC name is 6-(difluoromethoxy)-4-[4-[2-hydroxyethyl(methyl)amino]piperidin-1-yl]quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-(difluoromethoxy)-4-[4-[2-hydroxyethyl(methyl)amino]piperidin-1-yl]quinoline-3-carbonitrile
PubChem CID133437583
Molecular FormulaC19H22F2N4O2
Molecular Weight376.41 g/mol
Exact Mass376.17
IUPAC Name6-(difluoromethoxy)-4-[4-[2-hydroxyethyl(methyl)amino]piperidin-1-yl]quinoline-3-carbonitrile
SMILESCN(CCO)C1CCN(c2c(C#N)cnc3ccc(OC(F)F)cc23)CC1
InChIInChI=1S/C19H22F2N4O2/c1-24(8-9-26)14-4-6-25(7-5-14)18-13(11-22)12-23-17-3-2-15(10-16(17)18)27-19(20)21/h2-3,10,12,14,19,26H,4-9H2,1H3
InChIKeyPFNAMUMOPCSMBN-UHFFFAOYSA-N
XLogP2.60
TPSA72.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethoxy)-4-[4-[2-hydroxyethyl(methyl)amino]piperidin-1-yl]quinoline-3-carbonitrile?
The IUPAC name of 6-(difluoromethoxy)-4-[4-[2-hydroxyethyl(methyl)amino]piperidin-1-yl]quinoline-3-carbonitrile (CID 133437583) is 6-(difluoromethoxy)-4-[4-[2-hydroxyethyl(methyl)amino]piperidin-1-yl]quinoline-3-carbonitrile.
What is the SMILES notation for 6-(difluoromethoxy)-4-[4-[2-hydroxyethyl(methyl)amino]piperidin-1-yl]quinoline-3-carbonitrile?
The canonical SMILES for 6-(difluoromethoxy)-4-[4-[2-hydroxyethyl(methyl)amino]piperidin-1-yl]quinoline-3-carbonitrile is CN(CCO)C1CCN(c2c(C#N)cnc3ccc(OC(F)F)cc23)CC1.
What is the InChIKey of 6-(difluoromethoxy)-4-[4-[2-hydroxyethyl(methyl)amino]piperidin-1-yl]quinoline-3-carbonitrile?
The InChIKey is PFNAMUMOPCSMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N4O2/c1-24(8-9-26)14-4-6-25(7-5-14)18-13(11-22)12-23-17-3-2-15(10-16(17)18)27-19(20)21/h2-3,10,12,14,19,26H,4-9H2,1H3.
What are the key properties of 6-(difluoromethoxy)-4-[4-[2-hydroxyethyl(methyl)amino]piperidin-1-yl]quinoline-3-carbonitrile?
6-(difluoromethoxy)-4-[4-[2-hydroxyethyl(methyl)amino]piperidin-1-yl]quinoline-3-carbonitrile has a molecular weight of 376.41 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethoxy)-4-[4-[2-hydroxyethyl(methyl)amino]piperidin-1-yl]quinoline-3-carbonitrile is sourced from PubChem (CID 133437583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).