2-(4-methylpiperidin-1-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline

C22H31N3 — CID 46890347

IUPAC2-(4-methylpiperidin-1-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline
SMILESCC1CCN(c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)CC1
InChIInChI=1S/C22H31N3/c1-17-9-13-25(14-10-17)22-8-6-20-16-19(5-7-21(20)23-22)11-15-24-12-3-4-18(24)2/h5-8,16-18H,3-4,9-15H2,1-2H3/t18-/m1/s1
InChIKeyYAOWUNOWVQEGOW-GOSISDBHSA-N
MW337.51 g/mol
LogP4.50
Rot. Bonds4

About 2-(4-methylpiperidin-1-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline

2-(4-methylpiperidin-1-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline (PubChem CID 46890347) has the molecular formula C22H31N3 and a molecular weight of 337.51 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline
PubChem CID46890347
Molecular FormulaC22H31N3
Molecular Weight337.51 g/mol
Exact Mass337.25
IUPAC Name2-(4-methylpiperidin-1-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline
SMILESCC1CCN(c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)CC1
InChIInChI=1S/C22H31N3/c1-17-9-13-25(14-10-17)22-8-6-20-16-19(5-7-21(20)23-22)11-15-24-12-3-4-18(24)2/h5-8,16-18H,3-4,9-15H2,1-2H3/t18-/m1/s1
InChIKeyYAOWUNOWVQEGOW-GOSISDBHSA-N
XLogP4.50
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Quipazine
CID 5011
4-Methyl-2-(1-piperidinyl)quinoline
CID 230710
4-Methyl-2-piperazin-1-yl-quinoline
CID 598754
Neocryptolepine
CID 390526
N-Methylquipazine
CID 5013
Importazole
CID 2949965
2,4,7,9-Tetramethylbenzo[b][1,8]naphthyridin-5-amine
CID 765471
5,11-Dimethyl-5H-indolo(2,3-b)quinoline
CID 133982
6-(4-Methyl-piperazin-1-yl)-phenanthridine
CID 9993659
2-(4-Propyl-piperazin-1-yl)-quinoline
CID 11370427
N,N-dimethylquinolin-2-amine
CID 588801
1-(2-Methylphenyl)-4-methylamino-6-methyl-2,3-dihydropyrrolo(3,2-c)quinoline
CID 3081211

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline (CID 46890347) is 2-(4-methylpiperidin-1-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline is CC1CCN(c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline?
The InChIKey is YAOWUNOWVQEGOW-GOSISDBHSA-N. The full InChI is InChI=1S/C22H31N3/c1-17-9-13-25(14-10-17)22-8-6-20-16-19(5-7-21(20)23-22)11-15-24-12-3-4-18(24)2/h5-8,16-18H,3-4,9-15H2,1-2H3/t18-/m1/s1.
What are the key properties of 2-(4-methylpiperidin-1-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline?
2-(4-methylpiperidin-1-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline has a molecular weight of 337.51 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline is sourced from PubChem (CID 46890347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).