6-[[(2-amino-3-hydroxypropyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one

C13H19N3O2 — CID 115120551

IUPAC6-[[(2-amino-3-hydroxypropyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESNC(CO)CNCc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C13H19N3O2/c14-11(8-17)7-15-6-9-1-3-12-10(5-9)2-4-13(18)16-12/h1,3,5,11,15,17H,2,4,6-8,14H2,(H,16,18)
InChIKeyDSISMRUFHFDMMD-UHFFFAOYSA-N
MW249.31 g/mol
LogP-0.02
Rot. Bonds5

About 6-[[(2-amino-3-hydroxypropyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one

6-[[(2-amino-3-hydroxypropyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 115120551) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 6-[[(2-amino-3-hydroxypropyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[[(2-amino-3-hydroxypropyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID115120551
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name6-[[(2-amino-3-hydroxypropyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESNC(CO)CNCc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C13H19N3O2/c14-11(8-17)7-15-6-9-1-3-12-10(5-9)2-4-13(18)16-12/h1,3,5,11,15,17H,2,4,6-8,14H2,(H,16,18)
InChIKeyDSISMRUFHFDMMD-UHFFFAOYSA-N
XLogP-0.02
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 5-0.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 6-[[(2-amino-3-hydroxypropyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

6-[2-[(2-amino-3-hydroxypropyl)amino]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 115120823
6-[(sulfanylmethylamino)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 115227915
6-[(4-hydroxybutylamino)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 115217584
2-amino-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]acetamide
CID 82496063
N'-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]oxamide
CID 115191821
3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methylamino]propanenitrile
CID 115230866
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methylamino]acetonitrile
CID 115130975
6-[(propan-2-ylamino)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 82285548
1-benzyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]urea
CID 110775001
3-amino-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanoic acid
CID 82480198
6-(2-aminopropyl)-3,4-dihydro-1H-quinolin-2-one
CID 82190762
4-fluoro-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]benzamide
CID 110781545

Frequently Asked Questions

What is the IUPAC name of 6-[[(2-amino-3-hydroxypropyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[[(2-amino-3-hydroxypropyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one (CID 115120551) is 6-[[(2-amino-3-hydroxypropyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[[(2-amino-3-hydroxypropyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[[(2-amino-3-hydroxypropyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one is NC(CO)CNCc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-[[(2-amino-3-hydroxypropyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is DSISMRUFHFDMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c14-11(8-17)7-15-6-9-1-3-12-10(5-9)2-4-13(18)16-12/h1,3,5,11,15,17H,2,4,6-8,14H2,(H,16,18).
What are the key properties of 6-[[(2-amino-3-hydroxypropyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one?
6-[[(2-amino-3-hydroxypropyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 249.31 g/mol, XLogP of -0.02, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2-amino-3-hydroxypropyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 115120551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).