1-[(3S)-3-aminopyrrolidin-1-yl]-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one

C17H25N3O — CID 124693456

IUPAC1-[(3S)-3-aminopyrrolidin-1-yl]-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
SMILESC[C@H]1CCc2ccccc2N1CCC(=O)N1CC[C@H](N)C1
InChIInChI=1S/C17H25N3O/c1-13-6-7-14-4-2-3-5-16(14)20(13)11-9-17(21)19-10-8-15(18)12-19/h2-5,13,15H,6-12,18H2,1H3/t13-,15-/m0/s1
InChIKeyKJHZUXGSUOTQNV-ZFWWWQNUSA-N
MW287.41 g/mol
LogP1.78
Rot. Bonds3

About 1-[(3S)-3-aminopyrrolidin-1-yl]-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one

1-[(3S)-3-aminopyrrolidin-1-yl]-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one (PubChem CID 124693456) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-[(3S)-3-aminopyrrolidin-1-yl]-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[(3S)-3-aminopyrrolidin-1-yl]-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
PubChem CID124693456
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-[(3S)-3-aminopyrrolidin-1-yl]-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
SMILESC[C@H]1CCc2ccccc2N1CCC(=O)N1CC[C@H](N)C1
InChIInChI=1S/C17H25N3O/c1-13-6-7-14-4-2-3-5-16(14)20(13)11-9-17(21)19-10-8-15(18)12-19/h2-5,13,15H,6-12,18H2,1H3/t13-,15-/m0/s1
InChIKeyKJHZUXGSUOTQNV-ZFWWWQNUSA-N
XLogP1.78
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-aminopiperidin-1-yl)-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 124693452
1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 111539101
1-[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 125147410
1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 95906955
2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-pyrrolidin-1-ylethanone
CID 162353371
6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)hexan-3-one
CID 106801125
1-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-3-propylbenzimidazol-2-one
CID 119410437
N-(2-aminophenyl)-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide;dihydrochloride
CID 119422356
2-(methylamino)-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid
CID 63028897
2-[2-(dimethylamino)ethyl-[3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propanoyl]amino]acetic acid
CID 124689456
1-(4-ethylpiperazin-1-yl)-3-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 109017603
2-methyl-1-(2-piperazin-1-ylethyl)-3,4-dihydro-2H-quinoline
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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-aminopyrrolidin-1-yl]-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one?
The IUPAC name of 1-[(3S)-3-aminopyrrolidin-1-yl]-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one (CID 124693456) is 1-[(3S)-3-aminopyrrolidin-1-yl]-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one.
What is the SMILES notation for 1-[(3S)-3-aminopyrrolidin-1-yl]-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one?
The canonical SMILES for 1-[(3S)-3-aminopyrrolidin-1-yl]-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one is C[C@H]1CCc2ccccc2N1CCC(=O)N1CC[C@H](N)C1.
What is the InChIKey of 1-[(3S)-3-aminopyrrolidin-1-yl]-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one?
The InChIKey is KJHZUXGSUOTQNV-ZFWWWQNUSA-N. The full InChI is InChI=1S/C17H25N3O/c1-13-6-7-14-4-2-3-5-16(14)20(13)11-9-17(21)19-10-8-15(18)12-19/h2-5,13,15H,6-12,18H2,1H3/t13-,15-/m0/s1.
What are the key properties of 1-[(3S)-3-aminopyrrolidin-1-yl]-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one?
1-[(3S)-3-aminopyrrolidin-1-yl]-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one has a molecular weight of 287.41 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-aminopyrrolidin-1-yl]-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one is sourced from PubChem (CID 124693456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).