6-chloro-2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]quinoline-4-carbonitrile

C20H22ClN3O2 — CID 133453291

IUPAC6-chloro-2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]quinoline-4-carbonitrile
SMILESN#Cc1cc(N2CCC(OCC3CCOC3)CC2)nc2ccc(Cl)cc12
InChIInChI=1S/C20H22ClN3O2/c21-16-1-2-19-18(10-16)15(11-22)9-20(23-19)24-6-3-17(4-7-24)26-13-14-5-8-25-12-14/h1-2,9-10,14,17H,3-8,12-13H2
InChIKeyXDSWEMHBMCOMRL-UHFFFAOYSA-N
MW371.87 g/mol
LogP3.78
Rot. Bonds4

About 6-chloro-2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]quinoline-4-carbonitrile

6-chloro-2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]quinoline-4-carbonitrile (PubChem CID 133453291) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is 6-chloro-2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]quinoline-4-carbonitrile.

Molecular Properties

Compound Name6-chloro-2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]quinoline-4-carbonitrile
PubChem CID133453291
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name6-chloro-2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]quinoline-4-carbonitrile
SMILESN#Cc1cc(N2CCC(OCC3CCOC3)CC2)nc2ccc(Cl)cc12
InChIInChI=1S/C20H22ClN3O2/c21-16-1-2-19-18(10-16)15(11-22)9-20(23-19)24-6-3-17(4-7-24)26-13-14-5-8-25-12-14/h1-2,9-10,14,17H,3-8,12-13H2
InChIKeyXDSWEMHBMCOMRL-UHFFFAOYSA-N
XLogP3.78
TPSA58.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-chloro-2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]quinoline-4-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-chloro-2-[4-(triazol-1-yl)piperidin-1-yl]quinoline-4-carbonitrile
CID 133455579
5-bromo-2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]benzonitrile
CID 133453110
4-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]quinoline-3-carbonitrile
CID 133453132
6-chloro-2-[4-[3-hydroxypropyl(methyl)amino]piperidin-1-yl]quinoline-4-carbonitrile
CID 133304507
2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 133453307
5-nitro-2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]benzonitrile
CID 133453092
6-chloro-2-(1,2-oxazolidin-2-yl)quinoline-4-carbonitrile
CID 75455040
6-chloro-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]quinoline-4-carbonitrile
CID 133341908
1-(2-chloro-4-nitrophenyl)-4-(oxolan-3-ylmethoxy)piperidine
CID 133453040
2-fluoro-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]benzonitrile
CID 133453215
2-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]quinoline-4-carbonitrile
CID 127386584
6-chloro-2-[2-(2-hydroxyethyl)piperidin-1-yl]quinoline-4-carbonitrile
CID 133426490

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]quinoline-4-carbonitrile?
The IUPAC name of 6-chloro-2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]quinoline-4-carbonitrile (CID 133453291) is 6-chloro-2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]quinoline-4-carbonitrile.
What is the SMILES notation for 6-chloro-2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]quinoline-4-carbonitrile?
The canonical SMILES for 6-chloro-2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]quinoline-4-carbonitrile is N#Cc1cc(N2CCC(OCC3CCOC3)CC2)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]quinoline-4-carbonitrile?
The InChIKey is XDSWEMHBMCOMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c21-16-1-2-19-18(10-16)15(11-22)9-20(23-19)24-6-3-17(4-7-24)26-13-14-5-8-25-12-14/h1-2,9-10,14,17H,3-8,12-13H2.
What are the key properties of 6-chloro-2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]quinoline-4-carbonitrile?
6-chloro-2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]quinoline-4-carbonitrile has a molecular weight of 371.87 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]quinoline-4-carbonitrile is sourced from PubChem (CID 133453291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).