8-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]quinoline

C22H24N2O2 — CID 30385062

IUPAC8-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]quinoline
SMILESCOc1ccc([C@H]2CCCN2Cc2cccc3cccnc23)c(OC)c1
InChIInChI=1S/C22H24N2O2/c1-25-18-10-11-19(21(14-18)26-2)20-9-5-13-24(20)15-17-7-3-6-16-8-4-12-23-22(16)17/h3-4,6-8,10-12,14,20H,5,9,13,15H2,1-2H3/t20-/m1/s1
InChIKeyTYIGXXDZVAOSNU-HXUWFJFHSA-N
MW348.45 g/mol
LogP4.59
Rot. Bonds5

About 8-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]quinoline

8-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]quinoline (PubChem CID 30385062) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 8-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]quinoline.

Molecular Properties

Compound Name8-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]quinoline
PubChem CID30385062
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name8-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]quinoline
SMILESCOc1ccc([C@H]2CCCN2Cc2cccc3cccnc23)c(OC)c1
InChIInChI=1S/C22H24N2O2/c1-25-18-10-11-19(21(14-18)26-2)20-9-5-13-24(20)15-17-7-3-6-16-8-4-12-23-22(16)17/h3-4,6-8,10-12,14,20H,5,9,13,15H2,1-2H3/t20-/m1/s1
InChIKeyTYIGXXDZVAOSNU-HXUWFJFHSA-N
XLogP4.59
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylimidazole
CID 51260690
(2S)-2-(2,4-dimethoxyphenyl)-1-ethylpyrrolidine
CID 94709986
5-chloro-2-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylimidazole
CID 94343768
2-(2,4-dimethoxyphenyl)-1-[3-(4-methoxyphenoxy)propyl]pyrrolidine
CID 55409373
5-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 8856027
2-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
CID 94333445
3-[[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-propan-2-yl-1,2,4-oxadiazole
CID 56818743
5-[[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120897748
2-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole
CID 124721396
3-tert-butyl-5-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 51934667
4-[[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-2-thiophen-2-yl-1,3-thiazole
CID 18087139
N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(quinolin-8-ylmethyl)piperidin-3-yl]propanamide
CID 45214011

Frequently Asked Questions

What is the IUPAC name of 8-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]quinoline?
The IUPAC name of 8-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]quinoline (CID 30385062) is 8-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]quinoline.
What is the SMILES notation for 8-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]quinoline?
The canonical SMILES for 8-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]quinoline is COc1ccc([C@H]2CCCN2Cc2cccc3cccnc23)c(OC)c1.
What is the InChIKey of 8-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]quinoline?
The InChIKey is TYIGXXDZVAOSNU-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-25-18-10-11-19(21(14-18)26-2)20-9-5-13-24(20)15-17-7-3-6-16-8-4-12-23-22(16)17/h3-4,6-8,10-12,14,20H,5,9,13,15H2,1-2H3/t20-/m1/s1.
What are the key properties of 8-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]quinoline?
8-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]quinoline has a molecular weight of 348.45 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]quinoline is sourced from PubChem (CID 30385062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).