5-(2-aminoethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one

C11H17N3O — CID 81108138

IUPAC5-(2-aminoethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESNCCNC1CCCc2[nH]c(=O)ccc21
InChIInChI=1S/C11H17N3O/c12-6-7-13-9-2-1-3-10-8(9)4-5-11(15)14-10/h4-5,9,13H,1-3,6-7,12H2,(H,14,15)
InChIKeyALGZTHWOJUYDOG-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.30
Rot. Bonds3

About 5-(2-aminoethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one

5-(2-aminoethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 81108138) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 5-(2-aminoethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-(2-aminoethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID81108138
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name5-(2-aminoethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESNCCNC1CCCc2[nH]c(=O)ccc21
InChIInChI=1S/C11H17N3O/c12-6-7-13-9-2-1-3-10-8(9)4-5-11(15)14-10/h4-5,9,13H,1-3,6-7,12H2,(H,14,15)
InChIKeyALGZTHWOJUYDOG-UHFFFAOYSA-N
XLogP0.30
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-(2-aminoethylamino)-5,6,7,8-tetrahydro-1H-quinolin-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

5-[[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 22890957
5-(3,3-dimethylbutylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 113260561
5-(2-ethylsulfonylethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 103781006
5-(hex-5-ynylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 113348897
5-[3-(diethylamino)propylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81109345
5-(2-propan-2-yloxyethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 113429600
5-[2-(1H-1,2,4-triazol-5-yl)ethylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81107458
5-(2-morpholin-4-ylethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81108282
(5S)-5-(methylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 89053172
5-(cyclohexylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81108121
5-[(2-hydroxycyclopentyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81107715
5-[(3,3-difluoro-2-hydroxypropyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 103788075

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 5-(2-aminoethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 81108138) is 5-(2-aminoethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 5-(2-aminoethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 5-(2-aminoethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one is NCCNC1CCCc2[nH]c(=O)ccc21.
What is the InChIKey of 5-(2-aminoethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is ALGZTHWOJUYDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c12-6-7-13-9-2-1-3-10-8(9)4-5-11(15)14-10/h4-5,9,13H,1-3,6-7,12H2,(H,14,15).
What are the key properties of 5-(2-aminoethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
5-(2-aminoethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 207.28 g/mol, XLogP of 0.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 81108138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).