6-(1-amino-2-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one

C13H18N2O2 — CID 116859555

IUPAC6-(1-amino-2-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCC(O)C(N)c1ccc2c(c1)CCC(=O)N2C
InChIInChI=1S/C13H18N2O2/c1-8(16)13(14)10-3-5-11-9(7-10)4-6-12(17)15(11)2/h3,5,7-8,13,16H,4,6,14H2,1-2H3
InChIKeyYUBWHMHBZDUKES-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.98
Rot. Bonds2

About 6-(1-amino-2-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one

6-(1-amino-2-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 116859555) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 6-(1-amino-2-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-(1-amino-2-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID116859555
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name6-(1-amino-2-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCC(O)C(N)c1ccc2c(c1)CCC(=O)N2C
InChIInChI=1S/C13H18N2O2/c1-8(16)13(14)10-3-5-11-9(7-10)4-6-12(17)15(11)2/h3,5,7-8,13,16H,4,6,14H2,1-2H3
InChIKeyYUBWHMHBZDUKES-UHFFFAOYSA-N
XLogP0.98
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(1-amino-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63105964
5-(1-amino-2-hydroxypropyl)-1-methyl-3H-indol-2-one
CID 116859553
6-(1-amino-2-hydroxy-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116942089
6-(1-hydroxypropan-2-yl)-1-methyl-3,4-dihydroquinolin-2-one
CID 117312785
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-(2-cyclopropyl-1-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 83148581
1-methyl-6-[1-(methylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 63105201
6-(1-hydroxybutyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63106881
6-(1,3-dihydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 82291111
6-[(4-chlorophenyl)-hydroxymethyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 63106324
3-amino-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanenitrile
CID 116851226

Frequently Asked Questions

What is the IUPAC name of 6-(1-amino-2-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-(1-amino-2-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one (CID 116859555) is 6-(1-amino-2-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-(1-amino-2-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-(1-amino-2-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one is CC(O)C(N)c1ccc2c(c1)CCC(=O)N2C.
What is the InChIKey of 6-(1-amino-2-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is YUBWHMHBZDUKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-8(16)13(14)10-3-5-11-9(7-10)4-6-12(17)15(11)2/h3,5,7-8,13,16H,4,6,14H2,1-2H3.
What are the key properties of 6-(1-amino-2-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one?
6-(1-amino-2-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 234.30 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-amino-2-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 116859555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).