2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone

C18H27N3O — CID 120771508

IUPAC2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCC1CCc2ccccc2N1C(=O)CN1CCC(C)(CN)C1
InChIInChI=1S/C18H27N3O/c1-14-7-8-15-5-3-4-6-16(15)21(14)17(22)11-20-10-9-18(2,12-19)13-20/h3-6,14H,7-13,19H2,1-2H3
InChIKeyLPSMLRWVNXSQFC-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.03
Rot. Bonds3

About 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone (PubChem CID 120771508) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
PubChem CID120771508
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCC1CCc2ccccc2N1C(=O)CN1CCC(C)(CN)C1
InChIInChI=1S/C18H27N3O/c1-14-7-8-15-5-3-4-6-16(15)21(14)17(22)11-20-10-9-18(2,12-19)13-20/h3-6,14H,7-13,19H2,1-2H3
InChIKeyLPSMLRWVNXSQFC-UHFFFAOYSA-N
XLogP2.03
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone with MolForge

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Related Compounds

1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[3-methyl-4-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone
CID 55627224
(2S)-1-[2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]piperidine-2-carboxamide
CID 98701052
2-[[3-methyl-1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]pyrrolidin-3-yl]amino]acetic acid
CID 128974987
2-(4-benzylsulfonylpiperazin-1-yl)-1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 38817011
[1-(aminomethyl)-3-methylcyclobutyl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 80587521
3-chloro-1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 36690377
5-fluoro-1-[2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]pyridin-2-one
CID 99831437
1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 55915644
2-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 95322875
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(4-methylpiperidin-1-yl)ethanone
CID 5296275
(4-aminooxan-4-yl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 115293471
2-(3-aminopyrrolidin-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 62068343

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone (CID 120771508) is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone is CC1CCc2ccccc2N1C(=O)CN1CCC(C)(CN)C1.
What is the InChIKey of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The InChIKey is LPSMLRWVNXSQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-14-7-8-15-5-3-4-6-16(15)21(14)17(22)11-20-10-9-18(2,12-19)13-20/h3-6,14H,7-13,19H2,1-2H3.
What are the key properties of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone has a molecular weight of 301.43 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 120771508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).