4-[3-(ethoxymethyl)pyrrolidin-1-yl]-8-methoxy-2-methylquinoline

C18H24N2O2 — CID 133368592

IUPAC4-[3-(ethoxymethyl)pyrrolidin-1-yl]-8-methoxy-2-methylquinoline
SMILESCCOCC1CCN(c2cc(C)nc3c(OC)cccc23)C1
InChIInChI=1S/C18H24N2O2/c1-4-22-12-14-8-9-20(11-14)16-10-13(2)19-18-15(16)6-5-7-17(18)21-3/h5-7,10,14H,4,8-9,11-12H2,1-3H3
InChIKeyWXICRFORZDXVON-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.41
Rot. Bonds5

About 4-[3-(ethoxymethyl)pyrrolidin-1-yl]-8-methoxy-2-methylquinoline

4-[3-(ethoxymethyl)pyrrolidin-1-yl]-8-methoxy-2-methylquinoline (PubChem CID 133368592) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 4-[3-(ethoxymethyl)pyrrolidin-1-yl]-8-methoxy-2-methylquinoline.

Molecular Properties

Compound Name4-[3-(ethoxymethyl)pyrrolidin-1-yl]-8-methoxy-2-methylquinoline
PubChem CID133368592
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name4-[3-(ethoxymethyl)pyrrolidin-1-yl]-8-methoxy-2-methylquinoline
SMILESCCOCC1CCN(c2cc(C)nc3c(OC)cccc23)C1
InChIInChI=1S/C18H24N2O2/c1-4-22-12-14-8-9-20(11-14)16-10-13(2)19-18-15(16)6-5-7-17(18)21-3/h5-7,10,14H,4,8-9,11-12H2,1-3H3
InChIKeyWXICRFORZDXVON-UHFFFAOYSA-N
XLogP3.41
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-methoxy-2-methyl-4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]quinoline
CID 133388481
4-[1-(8-methoxy-2-methylquinolin-4-yl)pyrrolidin-3-yl]morpholine
CID 133368215
1-(4-ethylpiperazin-1-yl)-2-[1-(8-methoxy-2-methylquinolin-4-yl)piperidin-4-yl]ethanone
CID 133388704
4-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-8-methoxy-2-methylquinoline
CID 133388588
4-(8-methoxy-2-methylquinolin-4-yl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine
CID 133368789
1-(8-methoxy-2-methylquinolin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 133453800
5-[4-(8-methoxy-2-methylquinolin-4-yl)-1,4-diazepan-1-yl]-3-methyl-1,2,4-thiadiazole
CID 133368334
8-fluoro-2-methyl-4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]quinoline
CID 133368525
4-(2-ethylimidazol-1-yl)-8-methoxy-2-methylquinoline
CID 110435976
1-(8-methoxy-2-methylquinolin-4-yl)-N-methylmethanamine
CID 82449649
trans-(1S,2S)-1-N,2-N-bis(8-methoxy-4-pyrrolidin-1-ylquinolin-2-yl)cyclohexane-1,2-diamine
CID 118548103
4-[[4-(8-methoxy-2-methylquinolin-4-yl)-2-oxopiperazin-1-yl]methyl]benzonitrile
CID 133368162

Frequently Asked Questions

What is the IUPAC name of 4-[3-(ethoxymethyl)pyrrolidin-1-yl]-8-methoxy-2-methylquinoline?
The IUPAC name of 4-[3-(ethoxymethyl)pyrrolidin-1-yl]-8-methoxy-2-methylquinoline (CID 133368592) is 4-[3-(ethoxymethyl)pyrrolidin-1-yl]-8-methoxy-2-methylquinoline.
What is the SMILES notation for 4-[3-(ethoxymethyl)pyrrolidin-1-yl]-8-methoxy-2-methylquinoline?
The canonical SMILES for 4-[3-(ethoxymethyl)pyrrolidin-1-yl]-8-methoxy-2-methylquinoline is CCOCC1CCN(c2cc(C)nc3c(OC)cccc23)C1.
What is the InChIKey of 4-[3-(ethoxymethyl)pyrrolidin-1-yl]-8-methoxy-2-methylquinoline?
The InChIKey is WXICRFORZDXVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-4-22-12-14-8-9-20(11-14)16-10-13(2)19-18-15(16)6-5-7-17(18)21-3/h5-7,10,14H,4,8-9,11-12H2,1-3H3.
What are the key properties of 4-[3-(ethoxymethyl)pyrrolidin-1-yl]-8-methoxy-2-methylquinoline?
4-[3-(ethoxymethyl)pyrrolidin-1-yl]-8-methoxy-2-methylquinoline has a molecular weight of 300.40 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(ethoxymethyl)pyrrolidin-1-yl]-8-methoxy-2-methylquinoline is sourced from PubChem (CID 133368592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).