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

C13H19N3O — CID 116855688

IUPAC6-[2-amino-1-(methylamino)ethyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCNC(CN)c1ccc2c(c1)CCC(=O)N2C
InChIInChI=1S/C13H19N3O/c1-15-11(8-14)9-3-5-12-10(7-9)4-6-13(17)16(12)2/h3,5,7,11,15H,4,6,8,14H2,1-2H3
InChIKeyMIWXQACPYOEBHM-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.81
Rot. Bonds3

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

6-[2-amino-1-(methylamino)ethyl]-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 116855688) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 6-[2-amino-1-(methylamino)ethyl]-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-[2-amino-1-(methylamino)ethyl]-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID116855688
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name6-[2-amino-1-(methylamino)ethyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCNC(CN)c1ccc2c(c1)CCC(=O)N2C
InChIInChI=1S/C13H19N3O/c1-15-11(8-14)9-3-5-12-10(7-9)4-6-13(17)16(12)2/h3,5,7,11,15H,4,6,8,14H2,1-2H3
InChIKeyMIWXQACPYOEBHM-UHFFFAOYSA-N
XLogP0.81
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[4-hydroxy-1-(methylamino)butyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 116952952
1-methyl-6-[1-(methylamino)heptyl]-3,4-dihydroquinolin-2-one
CID 114752545
N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine
CID 62095660
1-methyl-6-[1-(methylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 63105201
6-(1,3-diaminopropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116932774
6-(1-amino-2-chloroethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116937542
6-(1-amino-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63105964
3-amino-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanenitrile
CID 116851226
6-(1-hydroxypropan-2-yl)-1-methyl-3,4-dihydroquinolin-2-one
CID 117312785
methyl 3-amino-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoate
CID 116940125
6-(1-amino-2-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116859555
6-(1-amino-2-hydroxy-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116942089

Frequently Asked Questions

What is the IUPAC name of 6-[2-amino-1-(methylamino)ethyl]-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-[2-amino-1-(methylamino)ethyl]-1-methyl-3,4-dihydroquinolin-2-one (CID 116855688) is 6-[2-amino-1-(methylamino)ethyl]-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-[2-amino-1-(methylamino)ethyl]-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-[2-amino-1-(methylamino)ethyl]-1-methyl-3,4-dihydroquinolin-2-one is CNC(CN)c1ccc2c(c1)CCC(=O)N2C.
What is the InChIKey of 6-[2-amino-1-(methylamino)ethyl]-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is MIWXQACPYOEBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-15-11(8-14)9-3-5-12-10(7-9)4-6-13(17)16(12)2/h3,5,7,11,15H,4,6,8,14H2,1-2H3.
What are the key properties of 6-[2-amino-1-(methylamino)ethyl]-1-methyl-3,4-dihydroquinolin-2-one?
6-[2-amino-1-(methylamino)ethyl]-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 233.31 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-amino-1-(methylamino)ethyl]-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 116855688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).