6-(aminomethyl)-1-[2-(aminomethyl)butyl]-3,4-dihydroquinolin-2-one

C15H23N3O — CID 115251457

IUPAC6-(aminomethyl)-1-[2-(aminomethyl)butyl]-3,4-dihydroquinolin-2-one
SMILESCCC(CN)CN1C(=O)CCc2cc(CN)ccc21
InChIInChI=1S/C15H23N3O/c1-2-11(8-16)10-18-14-5-3-12(9-17)7-13(14)4-6-15(18)19/h3,5,7,11H,2,4,6,8-10,16-17H2,1H3
InChIKeyLFWCCNGIWBTHPX-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.41
Rot. Bonds5

About 6-(aminomethyl)-1-[2-(aminomethyl)butyl]-3,4-dihydroquinolin-2-one

6-(aminomethyl)-1-[2-(aminomethyl)butyl]-3,4-dihydroquinolin-2-one (PubChem CID 115251457) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 6-(aminomethyl)-1-[2-(aminomethyl)butyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-(aminomethyl)-1-[2-(aminomethyl)butyl]-3,4-dihydroquinolin-2-one
PubChem CID115251457
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name6-(aminomethyl)-1-[2-(aminomethyl)butyl]-3,4-dihydroquinolin-2-one
SMILESCCC(CN)CN1C(=O)CCc2cc(CN)ccc21
InChIInChI=1S/C15H23N3O/c1-2-11(8-16)10-18-14-5-3-12(9-17)7-13(14)4-6-15(18)19/h3,5,7,11H,2,4,6,8-10,16-17H2,1H3
InChIKeyLFWCCNGIWBTHPX-UHFFFAOYSA-N
XLogP1.41
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-(aminomethyl)-1-[2-(aminomethyl)butyl]-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

6-amino-1-(2-ethylbutyl)-3,4-dihydroquinolin-2-one
CID 82926292
6-(aminomethyl)-1-(sulfanylmethyl)-3,4-dihydroquinolin-2-one
CID 115227916
1-(2,3-diaminopropyl)-6-(methylaminomethyl)-3,4-dihydroquinolin-2-one
CID 115119844
6-(aminomethyl)-1-[2-methyl-2-(methylamino)propyl]-3,4-dihydroquinolin-2-one
CID 115222243
methyl 6-(aminomethyl)-2-oxo-3,4-dihydroquinoline-1-carboxylate
CID 115190559
2-[6-(aminomethyl)-2-oxo-3,4-dihydroquinolin-1-yl]-2-oxoacetic acid
CID 115141312
6-(aminomethyl)-1-[2-(ethylamino)acetyl]-3,4-dihydroquinolin-2-one
CID 115157885
1-[2-(bromomethyl)pentyl]-6-fluoro-3,4-dihydroquinolin-2-one
CID 65010692
1-(2-amino-3-hydroxypropanoyl)-6-(aminomethyl)-3,4-dihydroquinolin-2-one
CID 115179854
4-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)-3-methylbutanoic acid
CID 115219709
1-ethyl-6-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 115259576
5-(aminomethyl)-1-[2-(aminomethyl)butanoyl]-3H-indol-2-one
CID 115186974

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-1-[2-(aminomethyl)butyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-(aminomethyl)-1-[2-(aminomethyl)butyl]-3,4-dihydroquinolin-2-one (CID 115251457) is 6-(aminomethyl)-1-[2-(aminomethyl)butyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-(aminomethyl)-1-[2-(aminomethyl)butyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-(aminomethyl)-1-[2-(aminomethyl)butyl]-3,4-dihydroquinolin-2-one is CCC(CN)CN1C(=O)CCc2cc(CN)ccc21.
What is the InChIKey of 6-(aminomethyl)-1-[2-(aminomethyl)butyl]-3,4-dihydroquinolin-2-one?
The InChIKey is LFWCCNGIWBTHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-11(8-16)10-18-14-5-3-12(9-17)7-13(14)4-6-15(18)19/h3,5,7,11H,2,4,6,8-10,16-17H2,1H3.
What are the key properties of 6-(aminomethyl)-1-[2-(aminomethyl)butyl]-3,4-dihydroquinolin-2-one?
6-(aminomethyl)-1-[2-(aminomethyl)butyl]-3,4-dihydroquinolin-2-one has a molecular weight of 261.37 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-1-[2-(aminomethyl)butyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 115251457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).