1-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]piperidin-3-ol

C22H23ClN2O2 — CID 70785675

IUPAC1-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]piperidin-3-ol
SMILESCOc1ccc2cc(CN3CCCC(O)C3)c(-c3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C22H23ClN2O2/c1-27-20-9-6-16-11-17(13-25-10-2-3-19(26)14-25)22(24-21(16)12-20)15-4-7-18(23)8-5-15/h4-9,11-12,19,26H,2-3,10,13-14H2,1H3
InChIKeyRFBWQOJUDIAMME-UHFFFAOYSA-N
MW382.89 g/mol
LogP4.52
Rot. Bonds4

About 1-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]piperidin-3-ol

1-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]piperidin-3-ol (PubChem CID 70785675) has the molecular formula C22H23ClN2O2 and a molecular weight of 382.89 g/mol. Its IUPAC name is 1-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]piperidin-3-ol
PubChem CID70785675
Molecular FormulaC22H23ClN2O2
Molecular Weight382.89 g/mol
Exact Mass382.14
IUPAC Name1-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]piperidin-3-ol
SMILESCOc1ccc2cc(CN3CCCC(O)C3)c(-c3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C22H23ClN2O2/c1-27-20-9-6-16-11-17(13-25-10-2-3-19(26)14-25)22(24-21(16)12-20)15-4-7-18(23)8-5-15/h4-9,11-12,19,26H,2-3,10,13-14H2,1H3
InChIKeyRFBWQOJUDIAMME-UHFFFAOYSA-N
XLogP4.52
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 95862955
[(2S)-1-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]pyrrolidin-2-yl]methanol
CID 70732351
(3S)-1-[[2-(4-chlorophenyl)-5,8-dimethoxyquinolin-3-yl]methyl]pyrrolidin-3-ol
CID 70762576
(3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-ol
CID 754063
(3R)-1-[[2-(4-methoxyphenyl)-8-methylquinolin-3-yl]methyl]pyrrolidin-3-ol
CID 70742319
ethyl (3R)-1-[(2-chloro-7-methoxyquinolin-3-yl)methyl]piperidine-3-carboxylate
CID 26201452
1-[[3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-ol
CID 70711620
(3S)-1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-ol
CID 95876935
(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 102878603
1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperidin-3-ol
CID 48631711
(3S)-1-[[3-(4-chlorophenoxy)phenyl]methyl]piperidin-3-ol
CID 7439337
(3S)-1-[[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl]piperidine-3-carbonitrile
CID 95871680

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]piperidin-3-ol?
The IUPAC name of 1-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]piperidin-3-ol (CID 70785675) is 1-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]piperidin-3-ol.
What is the SMILES notation for 1-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]piperidin-3-ol?
The canonical SMILES for 1-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]piperidin-3-ol is COc1ccc2cc(CN3CCCC(O)C3)c(-c3ccc(Cl)cc3)nc2c1.
What is the InChIKey of 1-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]piperidin-3-ol?
The InChIKey is RFBWQOJUDIAMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O2/c1-27-20-9-6-16-11-17(13-25-10-2-3-19(26)14-25)22(24-21(16)12-20)15-4-7-18(23)8-5-15/h4-9,11-12,19,26H,2-3,10,13-14H2,1H3.
What are the key properties of 1-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]piperidin-3-ol?
1-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]piperidin-3-ol has a molecular weight of 382.89 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]piperidin-3-ol is sourced from PubChem (CID 70785675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).