6-(2,3-diaminopropylamino)-3,4-dihydro-1H-quinolin-2-one

C12H18N4O — CID 115119383

IUPAC6-(2,3-diaminopropylamino)-3,4-dihydro-1H-quinolin-2-one
SMILESNCC(N)CNc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C12H18N4O/c13-6-9(14)7-15-10-2-3-11-8(5-10)1-4-12(17)16-11/h2-3,5,9,15H,1,4,6-7,13-14H2,(H,16,17)
InChIKeyCVGJHXJFVRCZTR-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.27
Rot. Bonds4

About 6-(2,3-diaminopropylamino)-3,4-dihydro-1H-quinolin-2-one

6-(2,3-diaminopropylamino)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 115119383) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 6-(2,3-diaminopropylamino)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(2,3-diaminopropylamino)-3,4-dihydro-1H-quinolin-2-one
PubChem CID115119383
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name6-(2,3-diaminopropylamino)-3,4-dihydro-1H-quinolin-2-one
SMILESNCC(N)CNc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C12H18N4O/c13-6-9(14)7-15-10-2-3-11-8(5-10)1-4-12(17)16-11/h2-3,5,9,15H,1,4,6-7,13-14H2,(H,16,17)
InChIKeyCVGJHXJFVRCZTR-UHFFFAOYSA-N
XLogP0.27
TPSA93.17 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 6-(2,3-diaminopropylamino)-3,4-dihydro-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-(2,3-diaminopropylamino)-1,3-dihydroindol-2-one
CID 115119380
3-hydroxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanoic acid
CID 115122854
6-(3-methylbutylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43737958
6-(cyclopropylmethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43738023
3-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide
CID 60837196
(2S)-2-amino-3,3-dimethyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide
CID 61154271
4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanenitrile
CID 115231431
6-(cyclopentylmethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 62071402
6-[(4-amino-4-methylpentyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 115205137
4-amino-2-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide
CID 80542372
ethane;6-(methylamino)-3,4-dihydro-1H-quinolin-2-one
CID 142404052
N,N-dimethyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]acetamide
CID 82498512

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-diaminopropylamino)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(2,3-diaminopropylamino)-3,4-dihydro-1H-quinolin-2-one (CID 115119383) is 6-(2,3-diaminopropylamino)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(2,3-diaminopropylamino)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(2,3-diaminopropylamino)-3,4-dihydro-1H-quinolin-2-one is NCC(N)CNc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-(2,3-diaminopropylamino)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is CVGJHXJFVRCZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c13-6-9(14)7-15-10-2-3-11-8(5-10)1-4-12(17)16-11/h2-3,5,9,15H,1,4,6-7,13-14H2,(H,16,17).
What are the key properties of 6-(2,3-diaminopropylamino)-3,4-dihydro-1H-quinolin-2-one?
6-(2,3-diaminopropylamino)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 234.30 g/mol, XLogP of 0.27, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-diaminopropylamino)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 115119383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).