(3R)-1-[[2-(4-methoxyphenyl)-8-methylquinolin-3-yl]methyl]pyrrolidin-3-ol

C22H24N2O2 — CID 70742319

IUPAC(3R)-1-[[2-(4-methoxyphenyl)-8-methylquinolin-3-yl]methyl]pyrrolidin-3-ol
SMILESCOc1ccc(-c2nc3c(C)cccc3cc2CN2CC[C@@H](O)C2)cc1
InChIInChI=1S/C22H24N2O2/c1-15-4-3-5-17-12-18(13-24-11-10-19(25)14-24)22(23-21(15)17)16-6-8-20(26-2)9-7-16/h3-9,12,19,25H,10-11,13-14H2,1-2H3/t19-/m1/s1
InChIKeyXWLHUKNTZOMYQF-LJQANCHMSA-N
MW348.45 g/mol
LogP3.79
Rot. Bonds4

About (3R)-1-[[2-(4-methoxyphenyl)-8-methylquinolin-3-yl]methyl]pyrrolidin-3-ol

(3R)-1-[[2-(4-methoxyphenyl)-8-methylquinolin-3-yl]methyl]pyrrolidin-3-ol (PubChem CID 70742319) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is (3R)-1-[[2-(4-methoxyphenyl)-8-methylquinolin-3-yl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[[2-(4-methoxyphenyl)-8-methylquinolin-3-yl]methyl]pyrrolidin-3-ol
PubChem CID70742319
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name(3R)-1-[[2-(4-methoxyphenyl)-8-methylquinolin-3-yl]methyl]pyrrolidin-3-ol
SMILESCOc1ccc(-c2nc3c(C)cccc3cc2CN2CC[C@@H](O)C2)cc1
InChIInChI=1S/C22H24N2O2/c1-15-4-3-5-17-12-18(13-24-11-10-19(25)14-24)22(23-21(15)17)16-6-8-20(26-2)9-7-16/h3-9,12,19,25H,10-11,13-14H2,1-2H3/t19-/m1/s1
InChIKeyXWLHUKNTZOMYQF-LJQANCHMSA-N
XLogP3.79
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-1-[[2-(4-methoxyphenyl)-8-methylquinolin-3-yl]methyl]pyrrolidin-3-ol with MolForge

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Related Compounds

(3S)-1-[[2-(4-chlorophenyl)-5,8-dimethoxyquinolin-3-yl]methyl]pyrrolidin-3-ol
CID 70762576
1-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]piperidin-3-ol
CID 70785675
(3R)-1-[[2-(3-chlorophenyl)-5,8-dimethoxyquinolin-3-yl]methyl]pyrrolidin-3-ol
CID 70778486
(3R)-1-[(2-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 103882000
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 63365148
(3R)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-ol
CID 78963710
(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 102878603
(3R)-1-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-ol
CID 111334093
1-[(2,6-dimethylphenyl)methyl]pyrrolidin-3-ol
CID 115532407
(3R)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]pyrrolidin-3-ol
CID 31106088
1-[(2,5-dimethylphenyl)methyl]pyrrolidin-3-ol
CID 24904964
(3S)-1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-3-ol
CID 111123250

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[2-(4-methoxyphenyl)-8-methylquinolin-3-yl]methyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[[2-(4-methoxyphenyl)-8-methylquinolin-3-yl]methyl]pyrrolidin-3-ol (CID 70742319) is (3R)-1-[[2-(4-methoxyphenyl)-8-methylquinolin-3-yl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[[2-(4-methoxyphenyl)-8-methylquinolin-3-yl]methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[[2-(4-methoxyphenyl)-8-methylquinolin-3-yl]methyl]pyrrolidin-3-ol is COc1ccc(-c2nc3c(C)cccc3cc2CN2CC[C@@H](O)C2)cc1.
What is the InChIKey of (3R)-1-[[2-(4-methoxyphenyl)-8-methylquinolin-3-yl]methyl]pyrrolidin-3-ol?
The InChIKey is XWLHUKNTZOMYQF-LJQANCHMSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-15-4-3-5-17-12-18(13-24-11-10-19(25)14-24)22(23-21(15)17)16-6-8-20(26-2)9-7-16/h3-9,12,19,25H,10-11,13-14H2,1-2H3/t19-/m1/s1.
What are the key properties of (3R)-1-[[2-(4-methoxyphenyl)-8-methylquinolin-3-yl]methyl]pyrrolidin-3-ol?
(3R)-1-[[2-(4-methoxyphenyl)-8-methylquinolin-3-yl]methyl]pyrrolidin-3-ol has a molecular weight of 348.45 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[2-(4-methoxyphenyl)-8-methylquinolin-3-yl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 70742319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).