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

C14H19N3O2 — CID 115157885

IUPAC6-(aminomethyl)-1-[2-(ethylamino)acetyl]-3,4-dihydroquinolin-2-one
SMILESCCNCC(=O)N1C(=O)CCc2cc(CN)ccc21
InChIInChI=1S/C14H19N3O2/c1-2-16-9-14(19)17-12-5-3-10(8-15)7-11(12)4-6-13(17)18/h3,5,7,16H,2,4,6,8-9,15H2,1H3
InChIKeyYLEAFIDTSYHGTE-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.56
Rot. Bonds4

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

6-(aminomethyl)-1-[2-(ethylamino)acetyl]-3,4-dihydroquinolin-2-one (PubChem CID 115157885) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 6-(aminomethyl)-1-[2-(ethylamino)acetyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-(aminomethyl)-1-[2-(ethylamino)acetyl]-3,4-dihydroquinolin-2-one
PubChem CID115157885
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name6-(aminomethyl)-1-[2-(ethylamino)acetyl]-3,4-dihydroquinolin-2-one
SMILESCCNCC(=O)N1C(=O)CCc2cc(CN)ccc21
InChIInChI=1S/C14H19N3O2/c1-2-16-9-14(19)17-12-5-3-10(8-15)7-11(12)4-6-13(17)18/h3,5,7,16H,2,4,6,8-9,15H2,1H3
InChIKeyYLEAFIDTSYHGTE-UHFFFAOYSA-N
XLogP0.56
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(aminomethyl)-1-[2-(ethylamino)acetyl]-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

methyl 6-(aminomethyl)-2-oxo-3,4-dihydroquinoline-1-carboxylate
CID 115190559
3-[6-(aminomethyl)-2-oxo-3,4-dihydroquinolin-1-yl]-3-oxopropanenitrile
CID 115173082
2-[6-(aminomethyl)-2-oxo-3,4-dihydroquinolin-1-yl]-2-oxoacetic acid
CID 115141312
1-(2-amino-3-hydroxypropanoyl)-6-(aminomethyl)-3,4-dihydroquinolin-2-one
CID 115179854
5-(aminomethyl)-1-[4-(methylamino)butanoyl]-3H-indol-2-one
CID 115155708
6-(methylaminomethyl)-2-oxo-3,4-dihydroquinoline-1-carboxylic acid
CID 115170974
5-(aminomethyl)-1-(4-amino-3-methylbutanoyl)-3H-indol-2-one
CID 115156370
6-(aminomethyl)-1-(sulfanylmethyl)-3,4-dihydroquinolin-2-one
CID 115227916
6-[2-(methylamino)ethyl]-2-oxo-3,4-dihydroquinoline-1-carbohydrazide
CID 115193038
6-(aminomethyl)-1-[2-(aminomethyl)butyl]-3,4-dihydroquinolin-2-one
CID 115251457
6-(aminomethyl)-1-[2-methyl-2-(methylamino)propyl]-3,4-dihydroquinolin-2-one
CID 115222243
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-(ethylamino)acetyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-(aminomethyl)-1-[2-(ethylamino)acetyl]-3,4-dihydroquinolin-2-one (CID 115157885) is 6-(aminomethyl)-1-[2-(ethylamino)acetyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-(aminomethyl)-1-[2-(ethylamino)acetyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-(aminomethyl)-1-[2-(ethylamino)acetyl]-3,4-dihydroquinolin-2-one is CCNCC(=O)N1C(=O)CCc2cc(CN)ccc21.
What is the InChIKey of 6-(aminomethyl)-1-[2-(ethylamino)acetyl]-3,4-dihydroquinolin-2-one?
The InChIKey is YLEAFIDTSYHGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-2-16-9-14(19)17-12-5-3-10(8-15)7-11(12)4-6-13(17)18/h3,5,7,16H,2,4,6,8-9,15H2,1H3.
What are the key properties of 6-(aminomethyl)-1-[2-(ethylamino)acetyl]-3,4-dihydroquinolin-2-one?
6-(aminomethyl)-1-[2-(ethylamino)acetyl]-3,4-dihydroquinolin-2-one has a molecular weight of 261.32 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-1-[2-(ethylamino)acetyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 115157885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).