6-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]-3,4-dihydro-1H-quinolin-2-one

C15H22N2O2 — CID 115133448

IUPAC6-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCN(Cc1ccc2c(c1)CCC(=O)N2)C(C)(C)CO
InChIInChI=1S/C15H22N2O2/c1-15(2,10-18)17(3)9-11-4-6-13-12(8-11)5-7-14(19)16-13/h4,6,8,18H,5,7,9-10H2,1-3H3,(H,16,19)
InChIKeyWCQGAVHITNHXCT-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.77
Rot. Bonds4

About 6-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]-3,4-dihydro-1H-quinolin-2-one

6-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 115133448) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 6-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID115133448
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name6-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCN(Cc1ccc2c(c1)CCC(=O)N2)C(C)(C)CO
InChIInChI=1S/C15H22N2O2/c1-15(2,10-18)17(3)9-11-4-6-13-12(8-11)5-7-14(19)16-13/h4,6,8,18H,5,7,9-10H2,1-3H3,(H,16,19)
InChIKeyWCQGAVHITNHXCT-UHFFFAOYSA-N
XLogP1.77
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-methyl-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]acetamide
CID 115139941
6-[[4-aminobutyl(methyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one
CID 115201298
3-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]amino]propanenitrile
CID 115230965
6-[[1-aminopropan-2-yl(methyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one
CID 117039998
2-cyano-N-methyl-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]acetamide
CID 115173172
2-hydroxy-N-methyl-N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide
CID 115140170
methyl-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]carbamic acid
CID 115171257
6-[[methyl(pyrrolidin-3-yl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one
CID 115118915
methyl 2,2-dimethyl-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate
CID 116927551
6-(2-bromoethyl)-3,4-dihydro-1H-quinolin-2-one
CID 18382037
6-(2-sulfanylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 82283516
6-[2-(methylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 82282846

Frequently Asked Questions

What is the IUPAC name of 6-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]-3,4-dihydro-1H-quinolin-2-one (CID 115133448) is 6-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]-3,4-dihydro-1H-quinolin-2-one is CN(Cc1ccc2c(c1)CCC(=O)N2)C(C)(C)CO.
What is the InChIKey of 6-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is WCQGAVHITNHXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(2,10-18)17(3)9-11-4-6-13-12(8-11)5-7-14(19)16-13/h4,6,8,18H,5,7,9-10H2,1-3H3,(H,16,19).
What are the key properties of 6-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]-3,4-dihydro-1H-quinolin-2-one?
6-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 262.35 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 115133448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).