8-methyl-4-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]quinoline

C22H24N2O — CID 133368248

IUPAC8-methyl-4-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]quinoline
SMILESCc1cccc2c(N3CCC(COCc4ccccc4)C3)ccnc12
InChIInChI=1S/C22H24N2O/c1-17-6-5-9-20-21(10-12-23-22(17)20)24-13-11-19(14-24)16-25-15-18-7-3-2-4-8-18/h2-10,12,19H,11,13-16H2,1H3
InChIKeyCYRFROSZNBDZIQ-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.59
Rot. Bonds5

About 8-methyl-4-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]quinoline

8-methyl-4-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]quinoline (PubChem CID 133368248) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 8-methyl-4-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]quinoline.

Molecular Properties

Compound Name8-methyl-4-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]quinoline
PubChem CID133368248
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name8-methyl-4-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]quinoline
SMILESCc1cccc2c(N3CCC(COCc4ccccc4)C3)ccnc12
InChIInChI=1S/C22H24N2O/c1-17-6-5-9-20-21(10-12-23-22(17)20)24-13-11-19(14-24)16-25-15-18-7-3-2-4-8-18/h2-10,12,19H,11,13-16H2,1H3
InChIKeyCYRFROSZNBDZIQ-UHFFFAOYSA-N
XLogP4.59
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazoline
CID 133461258
4-(8-methylquinolin-4-yl)-2-(oxolan-2-yl)morpholine
CID 133368990
imino-[[1-(8-methoxyquinolin-4-yl)piperidin-4-yl]methyl]-methyl-oxo-λ6-sulfane
CID 166561846
4-[3-(ethoxymethyl)pyrrolidin-1-yl]-8-methoxy-2-methylquinoline
CID 133368592
4-[(3R)-3-(phenylmethoxymethyl)pyrrolidin-1-yl]-3-(trifluoromethyl)benzonitrile
CID 97318501
1-[1-(8-methylquinolin-4-yl)piperidin-4-yl]piperidin-2-one
CID 133369326
8-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]quinoline
CID 133394249
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone
CID 126776714
8-methyl-4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline
CID 133448951
N'-methyl-3-(phenylmethoxymethyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]pyrrolidine-1-carboximidamide
CID 111526272
4-[3-(ethoxymethyl)pyrrolidin-1-yl]-7-(trifluoromethyl)quinoline
CID 133402824

Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]quinoline?
The IUPAC name of 8-methyl-4-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]quinoline (CID 133368248) is 8-methyl-4-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]quinoline.
What is the SMILES notation for 8-methyl-4-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]quinoline?
The canonical SMILES for 8-methyl-4-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]quinoline is Cc1cccc2c(N3CCC(COCc4ccccc4)C3)ccnc12.
What is the InChIKey of 8-methyl-4-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]quinoline?
The InChIKey is CYRFROSZNBDZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c1-17-6-5-9-20-21(10-12-23-22(17)20)24-13-11-19(14-24)16-25-15-18-7-3-2-4-8-18/h2-10,12,19H,11,13-16H2,1H3.
What are the key properties of 8-methyl-4-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]quinoline?
8-methyl-4-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]quinoline has a molecular weight of 332.45 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]quinoline is sourced from PubChem (CID 133368248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).