6,8-difluoro-4-[4-(methoxymethyl)-4-methylpiperidin-1-yl]quinoline-3-carbonitrile

C18H19F2N3O — CID 75399482

IUPAC6,8-difluoro-4-[4-(methoxymethyl)-4-methylpiperidin-1-yl]quinoline-3-carbonitrile
SMILESCOCC1(C)CCN(c2c(C#N)cnc3c(F)cc(F)cc23)CC1
InChIInChI=1S/C18H19F2N3O/c1-18(11-24-2)3-5-23(6-4-18)17-12(9-21)10-22-16-14(17)7-13(19)8-15(16)20/h7-8,10H,3-6,11H2,1-2H3
InChIKeyKJYLKNRZDHUCJE-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.64
Rot. Bonds3

About 6,8-difluoro-4-[4-(methoxymethyl)-4-methylpiperidin-1-yl]quinoline-3-carbonitrile

6,8-difluoro-4-[4-(methoxymethyl)-4-methylpiperidin-1-yl]quinoline-3-carbonitrile (PubChem CID 75399482) has the molecular formula C18H19F2N3O and a molecular weight of 331.37 g/mol. Its IUPAC name is 6,8-difluoro-4-[4-(methoxymethyl)-4-methylpiperidin-1-yl]quinoline-3-carbonitrile.

Molecular Properties

Compound Name6,8-difluoro-4-[4-(methoxymethyl)-4-methylpiperidin-1-yl]quinoline-3-carbonitrile
PubChem CID75399482
Molecular FormulaC18H19F2N3O
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name6,8-difluoro-4-[4-(methoxymethyl)-4-methylpiperidin-1-yl]quinoline-3-carbonitrile
SMILESCOCC1(C)CCN(c2c(C#N)cnc3c(F)cc(F)cc23)CC1
InChIInChI=1S/C18H19F2N3O/c1-18(11-24-2)3-5-23(6-4-18)17-12(9-21)10-22-16-14(17)7-13(19)8-15(16)20/h7-8,10H,3-6,11H2,1-2H3
InChIKeyKJYLKNRZDHUCJE-UHFFFAOYSA-N
XLogP3.64
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6,8-difluoro-4-[4-(methoxymethyl)-4-methylpiperidin-1-yl]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

Frequently Asked Questions

What is the IUPAC name of 6,8-difluoro-4-[4-(methoxymethyl)-4-methylpiperidin-1-yl]quinoline-3-carbonitrile?
The IUPAC name of 6,8-difluoro-4-[4-(methoxymethyl)-4-methylpiperidin-1-yl]quinoline-3-carbonitrile (CID 75399482) is 6,8-difluoro-4-[4-(methoxymethyl)-4-methylpiperidin-1-yl]quinoline-3-carbonitrile.
What is the SMILES notation for 6,8-difluoro-4-[4-(methoxymethyl)-4-methylpiperidin-1-yl]quinoline-3-carbonitrile?
The canonical SMILES for 6,8-difluoro-4-[4-(methoxymethyl)-4-methylpiperidin-1-yl]quinoline-3-carbonitrile is COCC1(C)CCN(c2c(C#N)cnc3c(F)cc(F)cc23)CC1.
What is the InChIKey of 6,8-difluoro-4-[4-(methoxymethyl)-4-methylpiperidin-1-yl]quinoline-3-carbonitrile?
The InChIKey is KJYLKNRZDHUCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O/c1-18(11-24-2)3-5-23(6-4-18)17-12(9-21)10-22-16-14(17)7-13(19)8-15(16)20/h7-8,10H,3-6,11H2,1-2H3.
What are the key properties of 6,8-difluoro-4-[4-(methoxymethyl)-4-methylpiperidin-1-yl]quinoline-3-carbonitrile?
6,8-difluoro-4-[4-(methoxymethyl)-4-methylpiperidin-1-yl]quinoline-3-carbonitrile has a molecular weight of 331.37 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-difluoro-4-[4-(methoxymethyl)-4-methylpiperidin-1-yl]quinoline-3-carbonitrile is sourced from PubChem (CID 75399482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).