3-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]-1H-quinolin-2-one

C16H23N3O2 — CID 103839029

IUPAC3-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]-1H-quinolin-2-one
SMILESCN(C)CC(C)(O)CNCc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C16H23N3O2/c1-16(21,11-19(2)3)10-17-9-13-8-12-6-4-5-7-14(12)18-15(13)20/h4-8,17,21H,9-11H2,1-3H3,(H,18,20)
InChIKeyGTSDSULMNKSWSV-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.93
Rot. Bonds6

About 3-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]-1H-quinolin-2-one

3-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]-1H-quinolin-2-one (PubChem CID 103839029) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]-1H-quinolin-2-one
PubChem CID103839029
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]-1H-quinolin-2-one
SMILESCN(C)CC(C)(O)CNCc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C16H23N3O2/c1-16(21,11-19(2)3)10-17-9-13-8-12-6-4-5-7-14(12)18-15(13)20/h4-8,17,21H,9-11H2,1-3H3,(H,18,20)
InChIKeyGTSDSULMNKSWSV-UHFFFAOYSA-N
XLogP0.93
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]-1H-quinolin-2-one
CID 103682882
3-[[(2-hydroxy-2-phenylpropyl)amino]methyl]-1H-quinolin-2-one
CID 111434717
3-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]-1H-quinolin-2-one
CID 115664647
3-[[(2,2-diethyl-4-hydroxybutyl)amino]methyl]-1H-quinolin-2-one
CID 111498735
3-[[[(2S)-2-hydroxypropyl]amino]methyl]-1H-quinolin-2-one
CID 93081788
3-[(3-methylbut-2-enylamino)methyl]-1H-quinolin-2-one
CID 103527928
3-[(3-hydroxypropylamino)methyl]-1H-quinolin-2-one
CID 28715980
3-[(2-methylsulfanylpropylamino)methyl]-1H-quinolin-2-one
CID 115757730
3-[(2-methylbut-3-yn-2-ylamino)methyl]-1H-quinolin-2-one
CID 63999144
3-[(2-hydroxyanilino)methyl]-1H-quinolin-2-one
CID 46950057
1-(dimethylamino)-2-methyl-3-[(2-nitrophenyl)methylamino]propan-2-ol
CID 103838849
3-[(2-cyclopropylpropan-2-ylamino)methyl]-1H-quinolin-2-one
CID 103700259

Frequently Asked Questions

What is the IUPAC name of 3-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 3-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]-1H-quinolin-2-one (CID 103839029) is 3-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]-1H-quinolin-2-one is CN(C)CC(C)(O)CNCc1cc2ccccc2[nH]c1=O.
What is the InChIKey of 3-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]-1H-quinolin-2-one?
The InChIKey is GTSDSULMNKSWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-16(21,11-19(2)3)10-17-9-13-8-12-6-4-5-7-14(12)18-15(13)20/h4-8,17,21H,9-11H2,1-3H3,(H,18,20).
What are the key properties of 3-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]-1H-quinolin-2-one?
3-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]-1H-quinolin-2-one has a molecular weight of 289.38 g/mol, XLogP of 0.93, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 103839029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).