6-(1-hydroxypropan-2-yl)-1-methyl-3,4-dihydroquinolin-2-one

C13H17NO2 — CID 117312785

IUPAC6-(1-hydroxypropan-2-yl)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCC(CO)c1ccc2c(c1)CCC(=O)N2C
InChIInChI=1S/C13H17NO2/c1-9(8-15)10-3-5-12-11(7-10)4-6-13(16)14(12)2/h3,5,7,9,15H,4,6,8H2,1-2H3
InChIKeyPMROGIJVXKDQHI-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.69
Rot. Bonds2

About 6-(1-hydroxypropan-2-yl)-1-methyl-3,4-dihydroquinolin-2-one

6-(1-hydroxypropan-2-yl)-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 117312785) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 6-(1-hydroxypropan-2-yl)-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-(1-hydroxypropan-2-yl)-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID117312785
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name6-(1-hydroxypropan-2-yl)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCC(CO)c1ccc2c(c1)CCC(=O)N2C
InChIInChI=1S/C13H17NO2/c1-9(8-15)10-3-5-12-11(7-10)4-6-13(16)14(12)2/h3,5,7,9,15H,4,6,8H2,1-2H3
InChIKeyPMROGIJVXKDQHI-UHFFFAOYSA-N
XLogP1.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(1,3-dihydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 82291111
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
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-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-hydroxyethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63107261
6-[cycloheptyl(hydroxy)methyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 63106320
6-(2-cyclopropyl-1-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 83148581
6-(1-hydroxy-2-phenylethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63107073
6-[4-hydroxy-1-(methylamino)butyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 116952952

Frequently Asked Questions

What is the IUPAC name of 6-(1-hydroxypropan-2-yl)-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-(1-hydroxypropan-2-yl)-1-methyl-3,4-dihydroquinolin-2-one (CID 117312785) is 6-(1-hydroxypropan-2-yl)-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-(1-hydroxypropan-2-yl)-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-(1-hydroxypropan-2-yl)-1-methyl-3,4-dihydroquinolin-2-one is CC(CO)c1ccc2c(c1)CCC(=O)N2C.
What is the InChIKey of 6-(1-hydroxypropan-2-yl)-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is PMROGIJVXKDQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9(8-15)10-3-5-12-11(7-10)4-6-13(16)14(12)2/h3,5,7,9,15H,4,6,8H2,1-2H3.
What are the key properties of 6-(1-hydroxypropan-2-yl)-1-methyl-3,4-dihydroquinolin-2-one?
6-(1-hydroxypropan-2-yl)-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 219.28 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-hydroxypropan-2-yl)-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 117312785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).