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

C15H22N2O2 — CID 82485649

IUPAC6-[[(2-hydroxy-2-methylpropyl)amino]methyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(CNCC(C)(C)O)ccc21
InChIInChI=1S/C15H22N2O2/c1-15(2,19)10-16-9-11-4-6-13-12(8-11)5-7-14(18)17(13)3/h4,6,8,16,19H,5,7,9-10H2,1-3H3
InChIKeyHIEBFNUMUVLSGJ-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.46
Rot. Bonds4

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

6-[[(2-hydroxy-2-methylpropyl)amino]methyl]-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 82485649) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 6-[[(2-hydroxy-2-methylpropyl)amino]methyl]-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-[[(2-hydroxy-2-methylpropyl)amino]methyl]-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID82485649
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name6-[[(2-hydroxy-2-methylpropyl)amino]methyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(CNCC(C)(C)O)ccc21
InChIInChI=1S/C15H22N2O2/c1-15(2,19)10-16-9-11-4-6-13-12(8-11)5-7-14(18)17(13)3/h4,6,8,16,19H,5,7,9-10H2,1-3H3
InChIKeyHIEBFNUMUVLSGJ-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-hydroxy-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116928650
3-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]propanoic acid
CID 82501036
6-[[(1-aminocyclopropyl)methylamino]methyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 115256654
2-methyl-2-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]propanenitrile
CID 115129291
N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]butanamide
CID 110781637
6-[2-(hydroxymethylamino)ethyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 115229304
N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]-2-oxoacetamide
CID 115166541
6-(2-hydroxypropan-2-yl)-1-methyl-3,4-dihydroquinolin-2-one
CID 117312742
1-methyl-6-(2,2,2-trifluoroethyl)-3,4-dihydroquinolin-2-one
CID 116932140
2,2-dimethyl-N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]propanamide
CID 110788697
N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-2-(4-methylphenyl)acetamide
CID 110781697
5,5-dimethyl-2-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]hexanoic acid
CID 174219538

Frequently Asked Questions

What is the IUPAC name of 6-[[(2-hydroxy-2-methylpropyl)amino]methyl]-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-[[(2-hydroxy-2-methylpropyl)amino]methyl]-1-methyl-3,4-dihydroquinolin-2-one (CID 82485649) is 6-[[(2-hydroxy-2-methylpropyl)amino]methyl]-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-[[(2-hydroxy-2-methylpropyl)amino]methyl]-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-[[(2-hydroxy-2-methylpropyl)amino]methyl]-1-methyl-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2cc(CNCC(C)(C)O)ccc21.
What is the InChIKey of 6-[[(2-hydroxy-2-methylpropyl)amino]methyl]-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is HIEBFNUMUVLSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(2,19)10-16-9-11-4-6-13-12(8-11)5-7-14(18)17(13)3/h4,6,8,16,19H,5,7,9-10H2,1-3H3.
What are the key properties of 6-[[(2-hydroxy-2-methylpropyl)amino]methyl]-1-methyl-3,4-dihydroquinolin-2-one?
6-[[(2-hydroxy-2-methylpropyl)amino]methyl]-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 262.35 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2-hydroxy-2-methylpropyl)amino]methyl]-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 82485649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).