4-amino-3-(3,4-dihydro-2H-quinolin-1-yl)-1-pyrrolidin-1-ylbutan-1-one

C17H25N3O — CID 66430065

IUPAC4-amino-3-(3,4-dihydro-2H-quinolin-1-yl)-1-pyrrolidin-1-ylbutan-1-one
SMILESNCC(CC(=O)N1CCCC1)N1CCCc2ccccc21
InChIInChI=1S/C17H25N3O/c18-13-15(12-17(21)19-9-3-4-10-19)20-11-5-7-14-6-1-2-8-16(14)20/h1-2,6,8,15H,3-5,7,9-13,18H2
InChIKeyNMDALTPFJIPLTD-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.78
Rot. Bonds4

About 4-amino-3-(3,4-dihydro-2H-quinolin-1-yl)-1-pyrrolidin-1-ylbutan-1-one

4-amino-3-(3,4-dihydro-2H-quinolin-1-yl)-1-pyrrolidin-1-ylbutan-1-one (PubChem CID 66430065) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 4-amino-3-(3,4-dihydro-2H-quinolin-1-yl)-1-pyrrolidin-1-ylbutan-1-one.

Molecular Properties

Compound Name4-amino-3-(3,4-dihydro-2H-quinolin-1-yl)-1-pyrrolidin-1-ylbutan-1-one
PubChem CID66430065
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name4-amino-3-(3,4-dihydro-2H-quinolin-1-yl)-1-pyrrolidin-1-ylbutan-1-one
SMILESNCC(CC(=O)N1CCCC1)N1CCCc2ccccc21
InChIInChI=1S/C17H25N3O/c18-13-15(12-17(21)19-9-3-4-10-19)20-11-5-7-14-6-1-2-8-16(14)20/h1-2,6,8,15H,3-5,7,9-13,18H2
InChIKeyNMDALTPFJIPLTD-UHFFFAOYSA-N
XLogP1.78
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

Analyze 4-amino-3-(3,4-dihydro-2H-quinolin-1-yl)-1-pyrrolidin-1-ylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-3-(3,4-dihydro-2H-quinolin-1-yl)-N-methylbutanamide
CID 66427347
4-amino-3-(3,4-dihydro-2H-quinolin-1-yl)-N-propylbutanamide
CID 66429515
2-(3,4-dihydro-2H-quinolin-1-yl)butanamide
CID 62901418
1-(azepan-1-yl)-3-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 109033505
2,4-bis(3,4-dihydro-2H-quinolin-1-yl)pentan-3-one
CID 151944573
(2R)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoic acid
CID 42223767
4-(3,4-dihydro-2H-quinolin-1-yl)pentan-1-amine
CID 62425766
2-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-piperidin-1-ylethanone
CID 63219146
2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl chloride
CID 12730427
4-amino-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-pyrrolidin-1-ylbutan-1-one
CID 66432722
(3R)-1-[(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperidine-3-carboxamide
CID 32715892
benzyl 2-(3,4-dihydro-2H-quinolin-1-yl)propanoate
CID 139697216

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3,4-dihydro-2H-quinolin-1-yl)-1-pyrrolidin-1-ylbutan-1-one?
The IUPAC name of 4-amino-3-(3,4-dihydro-2H-quinolin-1-yl)-1-pyrrolidin-1-ylbutan-1-one (CID 66430065) is 4-amino-3-(3,4-dihydro-2H-quinolin-1-yl)-1-pyrrolidin-1-ylbutan-1-one.
What is the SMILES notation for 4-amino-3-(3,4-dihydro-2H-quinolin-1-yl)-1-pyrrolidin-1-ylbutan-1-one?
The canonical SMILES for 4-amino-3-(3,4-dihydro-2H-quinolin-1-yl)-1-pyrrolidin-1-ylbutan-1-one is NCC(CC(=O)N1CCCC1)N1CCCc2ccccc21.
What is the InChIKey of 4-amino-3-(3,4-dihydro-2H-quinolin-1-yl)-1-pyrrolidin-1-ylbutan-1-one?
The InChIKey is NMDALTPFJIPLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c18-13-15(12-17(21)19-9-3-4-10-19)20-11-5-7-14-6-1-2-8-16(14)20/h1-2,6,8,15H,3-5,7,9-13,18H2.
What are the key properties of 4-amino-3-(3,4-dihydro-2H-quinolin-1-yl)-1-pyrrolidin-1-ylbutan-1-one?
4-amino-3-(3,4-dihydro-2H-quinolin-1-yl)-1-pyrrolidin-1-ylbutan-1-one has a molecular weight of 287.41 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(3,4-dihydro-2H-quinolin-1-yl)-1-pyrrolidin-1-ylbutan-1-one is sourced from PubChem (CID 66430065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).