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

C14H20N2O2 — CID 116942089

IUPAC6-(1-amino-2-hydroxy-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(C(N)C(C)(C)O)ccc21
InChIInChI=1S/C14H20N2O2/c1-14(2,18)13(15)10-4-6-11-9(8-10)5-7-12(17)16(11)3/h4,6,8,13,18H,5,7,15H2,1-3H3
InChIKeyDWUHNYHKLXJKPO-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.37
Rot. Bonds2

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

6-(1-amino-2-hydroxy-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 116942089) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 6-(1-amino-2-hydroxy-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-(1-amino-2-hydroxy-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID116942089
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name6-(1-amino-2-hydroxy-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(C(N)C(C)(C)O)ccc21
InChIInChI=1S/C14H20N2O2/c1-14(2,18)13(15)10-4-6-11-9(8-10)5-7-12(17)16(11)3/h4,6,8,13,18H,5,7,15H2,1-3H3
InChIKeyDWUHNYHKLXJKPO-UHFFFAOYSA-N
XLogP1.37
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(1-amino-2-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116859555
6-(1-amino-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63105964
6-(2-hydroxypropan-2-yl)-1-methyl-3,4-dihydroquinolin-2-one
CID 117312742
6-(1-amino-2-chloroethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116937542
6-(1,3-diaminopropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116932774
5-(1,2-diamino-2-methylpropyl)-1-methyl-3H-indol-2-one
CID 116932622
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
1-methyl-6-(2,2,3,3,3-pentafluoro-1-hydroxypropyl)-3,4-dihydroquinolin-2-one
CID 63105598
6-(1-chloro-2,2,3,3,3-pentafluoropropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63107266
methyl 3-amino-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoate
CID 116940125
6-[amino(azetidin-3-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 116935319

Frequently Asked Questions

What is the IUPAC name of 6-(1-amino-2-hydroxy-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-(1-amino-2-hydroxy-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one (CID 116942089) is 6-(1-amino-2-hydroxy-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-(1-amino-2-hydroxy-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-(1-amino-2-hydroxy-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2cc(C(N)C(C)(C)O)ccc21.
What is the InChIKey of 6-(1-amino-2-hydroxy-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is DWUHNYHKLXJKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(2,18)13(15)10-4-6-11-9(8-10)5-7-12(17)16(11)3/h4,6,8,13,18H,5,7,15H2,1-3H3.
What are the key properties of 6-(1-amino-2-hydroxy-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one?
6-(1-amino-2-hydroxy-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 248.33 g/mol, XLogP of 1.37, 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-hydroxy-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 116942089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).