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

C19H20N2O2 — CID 111434717

IUPAC3-[[(2-hydroxy-2-phenylpropyl)amino]methyl]-1H-quinolin-2-one
SMILESCC(O)(CNCc1cc2ccccc2[nH]c1=O)c1ccccc1
InChIInChI=1S/C19H20N2O2/c1-19(23,16-8-3-2-4-9-16)13-20-12-15-11-14-7-5-6-10-17(14)21-18(15)22/h2-11,20,23H,12-13H2,1H3,(H,21,22)
InChIKeyJZNKJISOKDOSOH-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.53
Rot. Bonds5

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

3-[[(2-hydroxy-2-phenylpropyl)amino]methyl]-1H-quinolin-2-one (PubChem CID 111434717) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-[[(2-hydroxy-2-phenylpropyl)amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[(2-hydroxy-2-phenylpropyl)amino]methyl]-1H-quinolin-2-one
PubChem CID111434717
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name3-[[(2-hydroxy-2-phenylpropyl)amino]methyl]-1H-quinolin-2-one
SMILESCC(O)(CNCc1cc2ccccc2[nH]c1=O)c1ccccc1
InChIInChI=1S/C19H20N2O2/c1-19(23,16-8-3-2-4-9-16)13-20-12-15-11-14-7-5-6-10-17(14)21-18(15)22/h2-11,20,23H,12-13H2,1H3,(H,21,22)
InChIKeyJZNKJISOKDOSOH-UHFFFAOYSA-N
XLogP2.53
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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-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-methylbut-3-yn-2-ylamino)methyl]-1H-quinolin-2-one
CID 63999144
3-[(2-hydroxyanilino)methyl]-1H-quinolin-2-one
CID 46950057
2,2-dimethyl-3-(2-oxo-1H-quinolin-3-yl)propanoic acid
CID 84631810
3-[(2-cyclopropylpropan-2-ylamino)methyl]-1H-quinolin-2-one
CID 103700259
3-[(2-methylsulfanylpropylamino)methyl]-1H-quinolin-2-one
CID 115757730

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-hydroxy-2-phenylpropyl)amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 3-[[(2-hydroxy-2-phenylpropyl)amino]methyl]-1H-quinolin-2-one (CID 111434717) is 3-[[(2-hydroxy-2-phenylpropyl)amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[[(2-hydroxy-2-phenylpropyl)amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[[(2-hydroxy-2-phenylpropyl)amino]methyl]-1H-quinolin-2-one is CC(O)(CNCc1cc2ccccc2[nH]c1=O)c1ccccc1.
What is the InChIKey of 3-[[(2-hydroxy-2-phenylpropyl)amino]methyl]-1H-quinolin-2-one?
The InChIKey is JZNKJISOKDOSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-19(23,16-8-3-2-4-9-16)13-20-12-15-11-14-7-5-6-10-17(14)21-18(15)22/h2-11,20,23H,12-13H2,1H3,(H,21,22).
What are the key properties of 3-[[(2-hydroxy-2-phenylpropyl)amino]methyl]-1H-quinolin-2-one?
3-[[(2-hydroxy-2-phenylpropyl)amino]methyl]-1H-quinolin-2-one has a molecular weight of 308.38 g/mol, XLogP of 2.53, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-hydroxy-2-phenylpropyl)amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 111434717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).