2-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]quinoline-4-carbonitrile

C21H26N4O — CID 127386584

IUPAC2-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]quinoline-4-carbonitrile
SMILESN#Cc1cc(N2CCC(OCCN3CCCC3)CC2)nc2ccccc12
InChIInChI=1S/C21H26N4O/c22-16-17-15-21(23-20-6-2-1-5-19(17)20)25-11-7-18(8-12-25)26-14-13-24-9-3-4-10-24/h1-2,5-6,15,18H,3-4,7-14H2
InChIKeyWKFWQBGGUJJMTF-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.19
Rot. Bonds5

About 2-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]quinoline-4-carbonitrile

2-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]quinoline-4-carbonitrile (PubChem CID 127386584) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]quinoline-4-carbonitrile.

Molecular Properties

Compound Name2-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]quinoline-4-carbonitrile
PubChem CID127386584
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name2-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]quinoline-4-carbonitrile
SMILESN#Cc1cc(N2CCC(OCCN3CCCC3)CC2)nc2ccccc12
InChIInChI=1S/C21H26N4O/c22-16-17-15-21(23-20-6-2-1-5-19(17)20)25-11-7-18(8-12-25)26-14-13-24-9-3-4-10-24/h1-2,5-6,15,18H,3-4,7-14H2
InChIKeyWKFWQBGGUJJMTF-UHFFFAOYSA-N
XLogP3.19
TPSA52.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(2-pyrrolidin-1-ylethoxy)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

2-[4-[4-(4-ethylpiperazin-1-yl)but-2-ynoxy]piperidin-1-yl]quinoline-4-carbonitrile
CID 154830062
2-(4-aminopiperidin-1-yl)quinoline-4-carbonitrile
CID 63884859
2-(4-methyl-1,4-diazepan-1-yl)quinoline-4-carbonitrile
CID 63883709
2-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]quinoline-4-carbonitrile
CID 127485716
4-[(3S)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]cinnoline-3-carbonitrile
CID 97017391
2-(2-formylpiperidin-1-yl)quinoline-4-carbonitrile
CID 63886612
2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]quinoline-4-carbonitrile
CID 171334885
2-(3-formylpiperidin-1-yl)quinoline-4-carbonitrile
CID 63883511
2-[2-(methylaminomethyl)piperidin-1-yl]quinoline-4-carbonitrile
CID 63886216
4-[4-(2-methoxyethoxy)piperidin-1-yl]quinoline-2-carbonitrile
CID 133448513
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinoline-4-carbonitrile
CID 66371449
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]quinoline-4-carbonitrile
CID 172901791

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]quinoline-4-carbonitrile?
The IUPAC name of 2-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]quinoline-4-carbonitrile (CID 127386584) is 2-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]quinoline-4-carbonitrile.
What is the SMILES notation for 2-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]quinoline-4-carbonitrile?
The canonical SMILES for 2-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]quinoline-4-carbonitrile is N#Cc1cc(N2CCC(OCCN3CCCC3)CC2)nc2ccccc12.
What is the InChIKey of 2-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]quinoline-4-carbonitrile?
The InChIKey is WKFWQBGGUJJMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c22-16-17-15-21(23-20-6-2-1-5-19(17)20)25-11-7-18(8-12-25)26-14-13-24-9-3-4-10-24/h1-2,5-6,15,18H,3-4,7-14H2.
What are the key properties of 2-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]quinoline-4-carbonitrile?
2-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]quinoline-4-carbonitrile has a molecular weight of 350.47 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]quinoline-4-carbonitrile is sourced from PubChem (CID 127386584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).