1-(3-aminopropyl)-6-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one

C15H23N3O — CID 115197456

IUPAC1-(3-aminopropyl)-6-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one
SMILESCNCCc1ccc2c(c1)CCC(=O)N2CCCN
InChIInChI=1S/C15H23N3O/c1-17-9-7-12-3-5-14-13(11-12)4-6-15(19)18(14)10-2-8-16/h3,5,11,17H,2,4,6-10,16H2,1H3
InChIKeyHVBODBDXSJRCHP-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.08
Rot. Bonds6

About 1-(3-aminopropyl)-6-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one

1-(3-aminopropyl)-6-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one (PubChem CID 115197456) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(3-aminopropyl)-6-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-(3-aminopropyl)-6-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one
PubChem CID115197456
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-(3-aminopropyl)-6-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one
SMILESCNCCc1ccc2c(c1)CCC(=O)N2CCCN
InChIInChI=1S/C15H23N3O/c1-17-9-7-12-3-5-14-13(11-12)4-6-15(19)18(14)10-2-8-16/h3,5,11,17H,2,4,6-10,16H2,1H3
InChIKeyHVBODBDXSJRCHP-UHFFFAOYSA-N
XLogP1.08
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3-aminopropyl)-6-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-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

1-ethyl-6-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 115259576
5-[2-(methylamino)ethyl]-1-(3-sulfanylpropyl)-3H-indol-2-one
CID 115225243
6-[2-(methylamino)ethyl]-1-propan-2-yl-3,4-dihydroquinolin-2-one
CID 117044162
3-[5-[2-(methylamino)ethyl]-2-oxo-3H-indol-1-yl]propanenitrile
CID 115231217
6-[2-(methylamino)ethyl]-2-oxo-3,4-dihydroquinoline-1-carbohydrazide
CID 115193038
methyl 6-[2-(methylamino)ethyl]-2-oxo-3,4-dihydroquinoline-1-carboxylate
CID 115190786
1-[2-(ethylamino)ethyl]-5-[2-(methylamino)ethyl]-3H-indol-2-one
CID 115206096
6-[2-(hydroxymethylamino)ethyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 115229304
1-methyl-6-[2-(propan-2-ylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 82479603
1-(2-amino-2-methylpropyl)-5-[2-(methylamino)ethyl]-3H-indol-2-one
CID 115136265
7-(4-aminobutyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 117336841
1-[4-(methylamino)butyl]-5-(methylaminomethyl)-3H-indol-2-one
CID 115202033

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-6-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-(3-aminopropyl)-6-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one (CID 115197456) is 1-(3-aminopropyl)-6-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-(3-aminopropyl)-6-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-(3-aminopropyl)-6-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one is CNCCc1ccc2c(c1)CCC(=O)N2CCCN.
What is the InChIKey of 1-(3-aminopropyl)-6-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one?
The InChIKey is HVBODBDXSJRCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-17-9-7-12-3-5-14-13(11-12)4-6-15(19)18(14)10-2-8-16/h3,5,11,17H,2,4,6-10,16H2,1H3.
What are the key properties of 1-(3-aminopropyl)-6-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one?
1-(3-aminopropyl)-6-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one has a molecular weight of 261.37 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-6-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 115197456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).