4-[3-(aminomethyl)-5,6,7,8-tetrahydroquinolin-2-yl]piperazine-2,6-dione

C14H18N4O2 — CID 66085814

IUPAC4-[3-(aminomethyl)-5,6,7,8-tetrahydroquinolin-2-yl]piperazine-2,6-dione
SMILESNCc1cc2c(nc1N1CC(=O)NC(=O)C1)CCCC2
InChIInChI=1S/C14H18N4O2/c15-6-10-5-9-3-1-2-4-11(9)16-14(10)18-7-12(19)17-13(20)8-18/h5H,1-4,6-8,15H2,(H,17,19,20)
InChIKeyDGEDSQNUDLJTJX-UHFFFAOYSA-N
MW274.32 g/mol
LogP-0.12
Rot. Bonds2

About 4-[3-(aminomethyl)-5,6,7,8-tetrahydroquinolin-2-yl]piperazine-2,6-dione

4-[3-(aminomethyl)-5,6,7,8-tetrahydroquinolin-2-yl]piperazine-2,6-dione (PubChem CID 66085814) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-[3-(aminomethyl)-5,6,7,8-tetrahydroquinolin-2-yl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-[3-(aminomethyl)-5,6,7,8-tetrahydroquinolin-2-yl]piperazine-2,6-dione
PubChem CID66085814
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name4-[3-(aminomethyl)-5,6,7,8-tetrahydroquinolin-2-yl]piperazine-2,6-dione
SMILESNCc1cc2c(nc1N1CC(=O)NC(=O)C1)CCCC2
InChIInChI=1S/C14H18N4O2/c15-6-10-5-9-3-1-2-4-11(9)16-14(10)18-7-12(19)17-13(20)8-18/h5H,1-4,6-8,15H2,(H,17,19,20)
InChIKeyDGEDSQNUDLJTJX-UHFFFAOYSA-N
XLogP-0.12
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4-[3-(aminomethyl)-5,6,7,8-tetrahydroquinolin-2-yl]piperazine-2,6-dione 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-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-1-methyl-1,4-diazepan-2-one
CID 102888406
[2-(4,4-dimethylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine
CID 62935971
[2-(3,3,4-trimethylpiperazin-1-yl)-5,6,7,8-tetrahydroquinolin-3-yl]methanamine
CID 63604653
[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-5,6,7,8-tetrahydroquinolin-3-yl]methanamine
CID 114459755
[2-(4-ethyl-4-methylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine
CID 63156144
[1-[3-(aminomethyl)-5,6,7,8-tetrahydroquinolin-2-yl]pyrrolidin-3-yl]methanol
CID 112624253
1-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]pyrrolidin-3-ol
CID 62916668
3-(aminomethyl)-5,6,7,8-tetrahydroquinolin-2-amine
CID 62104718
[2-(2,2-dimethylpyrrolidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine
CID 63215740
[2-(2-propylpiperidin-1-yl)-5,6,7,8-tetrahydroquinolin-3-yl]methanamine
CID 83052105
[2-(3-propan-2-ylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine
CID 62488466
1-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-N-methylpyrazole-3-carboxamide
CID 64780365

Frequently Asked Questions

What is the IUPAC name of 4-[3-(aminomethyl)-5,6,7,8-tetrahydroquinolin-2-yl]piperazine-2,6-dione?
The IUPAC name of 4-[3-(aminomethyl)-5,6,7,8-tetrahydroquinolin-2-yl]piperazine-2,6-dione (CID 66085814) is 4-[3-(aminomethyl)-5,6,7,8-tetrahydroquinolin-2-yl]piperazine-2,6-dione.
What is the SMILES notation for 4-[3-(aminomethyl)-5,6,7,8-tetrahydroquinolin-2-yl]piperazine-2,6-dione?
The canonical SMILES for 4-[3-(aminomethyl)-5,6,7,8-tetrahydroquinolin-2-yl]piperazine-2,6-dione is NCc1cc2c(nc1N1CC(=O)NC(=O)C1)CCCC2.
What is the InChIKey of 4-[3-(aminomethyl)-5,6,7,8-tetrahydroquinolin-2-yl]piperazine-2,6-dione?
The InChIKey is DGEDSQNUDLJTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c15-6-10-5-9-3-1-2-4-11(9)16-14(10)18-7-12(19)17-13(20)8-18/h5H,1-4,6-8,15H2,(H,17,19,20).
What are the key properties of 4-[3-(aminomethyl)-5,6,7,8-tetrahydroquinolin-2-yl]piperazine-2,6-dione?
4-[3-(aminomethyl)-5,6,7,8-tetrahydroquinolin-2-yl]piperazine-2,6-dione has a molecular weight of 274.32 g/mol, XLogP of -0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(aminomethyl)-5,6,7,8-tetrahydroquinolin-2-yl]piperazine-2,6-dione is sourced from PubChem (CID 66085814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).