3-[[[(2S)-2-hydroxypropyl]amino]methyl]-1H-quinolin-2-one

C13H16N2O2 — CID 93081788

IUPAC3-[[[(2S)-2-hydroxypropyl]amino]methyl]-1H-quinolin-2-one
SMILESC[C@H](O)CNCc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C13H16N2O2/c1-9(16)7-14-8-11-6-10-4-2-3-5-12(10)15-13(11)17/h2-6,9,14,16H,7-8H2,1H3,(H,15,17)/t9-/m0/s1
InChIKeyYYEQETZCIIVTAF-VIFPVBQESA-N
MW232.28 g/mol
LogP1.00
Rot. Bonds4

About 3-[[[(2S)-2-hydroxypropyl]amino]methyl]-1H-quinolin-2-one

3-[[[(2S)-2-hydroxypropyl]amino]methyl]-1H-quinolin-2-one (PubChem CID 93081788) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-[[[(2S)-2-hydroxypropyl]amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[[(2S)-2-hydroxypropyl]amino]methyl]-1H-quinolin-2-one
PubChem CID93081788
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name3-[[[(2S)-2-hydroxypropyl]amino]methyl]-1H-quinolin-2-one
SMILESC[C@H](O)CNCc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C13H16N2O2/c1-9(16)7-14-8-11-6-10-4-2-3-5-12(10)15-13(11)17/h2-6,9,14,16H,7-8H2,1H3,(H,15,17)/t9-/m0/s1
InChIKeyYYEQETZCIIVTAF-VIFPVBQESA-N
XLogP1.00
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-methylsulfanylpropylamino)methyl]-1H-quinolin-2-one
CID 115757730
3-[(3-methylbut-2-enylamino)methyl]-1H-quinolin-2-one
CID 103527928
3-[[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]methyl]-1H-quinolin-2-one
CID 111434672
3-[(3-hydroxypropylamino)methyl]-1H-quinolin-2-one
CID 28715980
3-[[(2,2-diethyl-4-hydroxybutyl)amino]methyl]-1H-quinolin-2-one
CID 111498735
3-[[(2-hydroxy-2-phenylpropyl)amino]methyl]-1H-quinolin-2-one
CID 111434717
N-butan-2-yl-3-[(2-oxo-1H-quinolin-3-yl)methylamino]propanamide
CID 119136138
(2S)-4-methyl-2-[(2-oxo-1H-quinolin-3-yl)methylamino]pentanoic acid
CID 120510789
3-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]-1H-quinolin-2-one
CID 115664647
3-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]-1H-quinolin-2-one
CID 103839029
3-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]-1H-quinolin-2-one
CID 103682882
3-[(2-hydroxyanilino)methyl]-1H-quinolin-2-one
CID 46950057

Frequently Asked Questions

What is the IUPAC name of 3-[[[(2S)-2-hydroxypropyl]amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 3-[[[(2S)-2-hydroxypropyl]amino]methyl]-1H-quinolin-2-one (CID 93081788) is 3-[[[(2S)-2-hydroxypropyl]amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[[[(2S)-2-hydroxypropyl]amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[[[(2S)-2-hydroxypropyl]amino]methyl]-1H-quinolin-2-one is C[C@H](O)CNCc1cc2ccccc2[nH]c1=O.
What is the InChIKey of 3-[[[(2S)-2-hydroxypropyl]amino]methyl]-1H-quinolin-2-one?
The InChIKey is YYEQETZCIIVTAF-VIFPVBQESA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9(16)7-14-8-11-6-10-4-2-3-5-12(10)15-13(11)17/h2-6,9,14,16H,7-8H2,1H3,(H,15,17)/t9-/m0/s1.
What are the key properties of 3-[[[(2S)-2-hydroxypropyl]amino]methyl]-1H-quinolin-2-one?
3-[[[(2S)-2-hydroxypropyl]amino]methyl]-1H-quinolin-2-one has a molecular weight of 232.28 g/mol, XLogP of 1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(2S)-2-hydroxypropyl]amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 93081788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).