7-chloro-8-[[4-(oxan-2-ylmethoxy)piperidin-1-yl]methyl]quinoline

C21H27ClN2O2 — CID 102559179

IUPAC7-chloro-8-[[4-(oxan-2-ylmethoxy)piperidin-1-yl]methyl]quinoline
SMILESClc1ccc2cccnc2c1CN1CCC(OCC2CCCCO2)CC1
InChIInChI=1S/C21H27ClN2O2/c22-20-7-6-16-4-3-10-23-21(16)19(20)14-24-11-8-17(9-12-24)26-15-18-5-1-2-13-25-18/h3-4,6-7,10,17-18H,1-2,5,8-9,11-15H2
InChIKeyHAQVQEMXFPKNMP-UHFFFAOYSA-N
MW374.91 g/mol
LogP4.44
Rot. Bonds5

About 7-chloro-8-[[4-(oxan-2-ylmethoxy)piperidin-1-yl]methyl]quinoline

7-chloro-8-[[4-(oxan-2-ylmethoxy)piperidin-1-yl]methyl]quinoline (PubChem CID 102559179) has the molecular formula C21H27ClN2O2 and a molecular weight of 374.91 g/mol. Its IUPAC name is 7-chloro-8-[[4-(oxan-2-ylmethoxy)piperidin-1-yl]methyl]quinoline.

Molecular Properties

Compound Name7-chloro-8-[[4-(oxan-2-ylmethoxy)piperidin-1-yl]methyl]quinoline
PubChem CID102559179
Molecular FormulaC21H27ClN2O2
Molecular Weight374.91 g/mol
Exact Mass374.18
IUPAC Name7-chloro-8-[[4-(oxan-2-ylmethoxy)piperidin-1-yl]methyl]quinoline
SMILESClc1ccc2cccnc2c1CN1CCC(OCC2CCCCO2)CC1
InChIInChI=1S/C21H27ClN2O2/c22-20-7-6-16-4-3-10-23-21(16)19(20)14-24-11-8-17(9-12-24)26-15-18-5-1-2-13-25-18/h3-4,6-7,10,17-18H,1-2,5,8-9,11-15H2
InChIKeyHAQVQEMXFPKNMP-UHFFFAOYSA-N
XLogP4.44
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.91
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-chloro-8-[[4-(oxan-2-ylmethoxy)piperidin-1-yl]methyl]quinoline 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

7-chloro-8-[(4-cyclopentylpiperazin-1-yl)methyl]quinoline
CID 55852939
1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine
CID 124619404
(2S)-4-[(7-chloroquinolin-8-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95278653
(3R)-1-[(7-chloroquinolin-8-yl)methyl]piperidin-3-ol
CID 94382578
4-[[(2R)-oxolan-2-yl]methoxy]-1-[(2-pyrazol-1-ylphenyl)methyl]piperidine
CID 97157965
2-[4-[(7-chloroquinolin-8-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 55831932
1-(2-methylpyrazol-3-yl)sulfonyl-4-[[(2S)-oxan-2-yl]methoxy]piperidine
CID 124727248
4-[(7-chloroquinolin-8-yl)methyl]-2-(3-fluorophenyl)morpholine
CID 86884183
(1S)-2-[4-[[(2S)-oxan-2-yl]methoxy]piperidin-1-yl]-1-phenylethanol
CID 124883143
2-(4-methylphenyl)-5-[[4-(oxan-2-ylmethoxy)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 127418614
1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-4-[[(2S)-oxolan-2-yl]methoxy]piperidine
CID 97157966
[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 97013755

Frequently Asked Questions

What is the IUPAC name of 7-chloro-8-[[4-(oxan-2-ylmethoxy)piperidin-1-yl]methyl]quinoline?
The IUPAC name of 7-chloro-8-[[4-(oxan-2-ylmethoxy)piperidin-1-yl]methyl]quinoline (CID 102559179) is 7-chloro-8-[[4-(oxan-2-ylmethoxy)piperidin-1-yl]methyl]quinoline.
What is the SMILES notation for 7-chloro-8-[[4-(oxan-2-ylmethoxy)piperidin-1-yl]methyl]quinoline?
The canonical SMILES for 7-chloro-8-[[4-(oxan-2-ylmethoxy)piperidin-1-yl]methyl]quinoline is Clc1ccc2cccnc2c1CN1CCC(OCC2CCCCO2)CC1.
What is the InChIKey of 7-chloro-8-[[4-(oxan-2-ylmethoxy)piperidin-1-yl]methyl]quinoline?
The InChIKey is HAQVQEMXFPKNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O2/c22-20-7-6-16-4-3-10-23-21(16)19(20)14-24-11-8-17(9-12-24)26-15-18-5-1-2-13-25-18/h3-4,6-7,10,17-18H,1-2,5,8-9,11-15H2.
What are the key properties of 7-chloro-8-[[4-(oxan-2-ylmethoxy)piperidin-1-yl]methyl]quinoline?
7-chloro-8-[[4-(oxan-2-ylmethoxy)piperidin-1-yl]methyl]quinoline has a molecular weight of 374.91 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-8-[[4-(oxan-2-ylmethoxy)piperidin-1-yl]methyl]quinoline is sourced from PubChem (CID 102559179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).