1-(3-aminopropyl)-7,8-dihydro-6H-quinoline-2,5-dione

C12H16N2O2 — CID 103072812

IUPAC1-(3-aminopropyl)-7,8-dihydro-6H-quinoline-2,5-dione
SMILESNCCCn1c2c(ccc1=O)C(=O)CCC2
InChIInChI=1S/C12H16N2O2/c13-7-2-8-14-10-3-1-4-11(15)9(10)5-6-12(14)16/h5-6H,1-4,7-8,13H2
InChIKeyTYIKQCASEDHLFL-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.72
Rot. Bonds3

About 1-(3-aminopropyl)-7,8-dihydro-6H-quinoline-2,5-dione

1-(3-aminopropyl)-7,8-dihydro-6H-quinoline-2,5-dione (PubChem CID 103072812) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-(3-aminopropyl)-7,8-dihydro-6H-quinoline-2,5-dione.

Molecular Properties

Compound Name1-(3-aminopropyl)-7,8-dihydro-6H-quinoline-2,5-dione
PubChem CID103072812
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-(3-aminopropyl)-7,8-dihydro-6H-quinoline-2,5-dione
SMILESNCCCn1c2c(ccc1=O)C(=O)CCC2
InChIInChI=1S/C12H16N2O2/c13-7-2-8-14-10-3-1-4-11(15)9(10)5-6-12(14)16/h5-6H,1-4,7-8,13H2
InChIKeyTYIKQCASEDHLFL-UHFFFAOYSA-N
XLogP0.72
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-aminopropyl)-7,8-dihydro-6H-quinoline-2,5-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

1-(3-bromopropyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 81108600
1-but-3-ynyl-7,8-dihydro-6H-quinoline-2,5-dione
CID 81107885
1-(2-cyclopropylethyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 81108922
1-(2-ethoxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 81109273
1-[2-(2-hydroxyethoxy)ethyl]-7,8-dihydro-6H-quinoline-2,5-dione
CID 81108927
ethyl 3-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)propanoate
CID 81107603
methyl 3-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)propanoate
CID 81107719
1-(2-methylprop-2-enyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 10398444
1-(2-chloroprop-2-enyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 81109377
1-(2-pyridin-3-ylethyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 81108462
1-[(4-methylphenyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione
CID 81109385
ethyl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate
CID 81108822

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The IUPAC name of 1-(3-aminopropyl)-7,8-dihydro-6H-quinoline-2,5-dione (CID 103072812) is 1-(3-aminopropyl)-7,8-dihydro-6H-quinoline-2,5-dione.
What is the SMILES notation for 1-(3-aminopropyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The canonical SMILES for 1-(3-aminopropyl)-7,8-dihydro-6H-quinoline-2,5-dione is NCCCn1c2c(ccc1=O)C(=O)CCC2.
What is the InChIKey of 1-(3-aminopropyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The InChIKey is TYIKQCASEDHLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c13-7-2-8-14-10-3-1-4-11(15)9(10)5-6-12(14)16/h5-6H,1-4,7-8,13H2.
What are the key properties of 1-(3-aminopropyl)-7,8-dihydro-6H-quinoline-2,5-dione?
1-(3-aminopropyl)-7,8-dihydro-6H-quinoline-2,5-dione has a molecular weight of 220.27 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-7,8-dihydro-6H-quinoline-2,5-dione is sourced from PubChem (CID 103072812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).