3-[[4-(dimethylamino)phenyl]methyl]-4-hydroxy-1-methylquinolin-2-one

C19H20N2O2 — CID 54707812

IUPAC3-[[4-(dimethylamino)phenyl]methyl]-4-hydroxy-1-methylquinolin-2-one
SMILESCN(C)c1ccc(Cc2c(O)c3ccccc3n(C)c2=O)cc1
InChIInChI=1S/C19H20N2O2/c1-20(2)14-10-8-13(9-11-14)12-16-18(22)15-6-4-5-7-17(15)21(3)19(16)23/h4-11,22H,12H2,1-3H3
InChIKeyAQMFDIMVWHAPDE-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.90
Rot. Bonds3

About 3-[[4-(dimethylamino)phenyl]methyl]-4-hydroxy-1-methylquinolin-2-one

3-[[4-(dimethylamino)phenyl]methyl]-4-hydroxy-1-methylquinolin-2-one (PubChem CID 54707812) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-[[4-(dimethylamino)phenyl]methyl]-4-hydroxy-1-methylquinolin-2-one.

Molecular Properties

Compound Name3-[[4-(dimethylamino)phenyl]methyl]-4-hydroxy-1-methylquinolin-2-one
PubChem CID54707812
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name3-[[4-(dimethylamino)phenyl]methyl]-4-hydroxy-1-methylquinolin-2-one
SMILESCN(C)c1ccc(Cc2c(O)c3ccccc3n(C)c2=O)cc1
InChIInChI=1S/C19H20N2O2/c1-20(2)14-10-8-13(9-11-14)12-16-18(22)15-6-4-5-7-17(15)21(3)19(16)23/h4-11,22H,12H2,1-3H3
InChIKeyAQMFDIMVWHAPDE-UHFFFAOYSA-N
XLogP2.90
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-3-[(4-methoxyphenyl)methyl]-1-methylquinolin-2-one
CID 54687716
4-hydroxy-1-methyl-3-[[4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]quinolin-2-one
CID 54696598
4-hydroxy-1-methyl-3-nonylquinolin-2-one
CID 54687613
3-[(3S)-3-[4-(dimethylamino)phenyl]-3-(pyridin-4-ylmethylamino)propanoyl]-4-hydroxy-1-methylquinolin-2-one
CID 54747486
3-acetyl-4-hydroxy-1-methylquinolin-2-one
CID 54697138
ethane;4-hydroxy-1,3-dimethylquinolin-2-one
CID 91565927
4-hydroxy-1,3-dipropylquinolin-2-one
CID 54703043
3-[(5R)-5-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyrazol-3-yl]-4-hydroxy-1-methylquinolin-2-one
CID 135768103
[1-methyl-2-oxo-3-[(4-phenylphenyl)methyl]quinolin-4-yl] methanesulfonate
CID 10237970
3-butoxy-4-hydroxy-1-methylquinolin-2-one
CID 140995416
N-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide
CID 54697635
pentyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate
CID 54704266

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(dimethylamino)phenyl]methyl]-4-hydroxy-1-methylquinolin-2-one?
The IUPAC name of 3-[[4-(dimethylamino)phenyl]methyl]-4-hydroxy-1-methylquinolin-2-one (CID 54707812) is 3-[[4-(dimethylamino)phenyl]methyl]-4-hydroxy-1-methylquinolin-2-one.
What is the SMILES notation for 3-[[4-(dimethylamino)phenyl]methyl]-4-hydroxy-1-methylquinolin-2-one?
The canonical SMILES for 3-[[4-(dimethylamino)phenyl]methyl]-4-hydroxy-1-methylquinolin-2-one is CN(C)c1ccc(Cc2c(O)c3ccccc3n(C)c2=O)cc1.
What is the InChIKey of 3-[[4-(dimethylamino)phenyl]methyl]-4-hydroxy-1-methylquinolin-2-one?
The InChIKey is AQMFDIMVWHAPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-20(2)14-10-8-13(9-11-14)12-16-18(22)15-6-4-5-7-17(15)21(3)19(16)23/h4-11,22H,12H2,1-3H3.
What are the key properties of 3-[[4-(dimethylamino)phenyl]methyl]-4-hydroxy-1-methylquinolin-2-one?
3-[[4-(dimethylamino)phenyl]methyl]-4-hydroxy-1-methylquinolin-2-one has a molecular weight of 308.38 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(dimethylamino)phenyl]methyl]-4-hydroxy-1-methylquinolin-2-one is sourced from PubChem (CID 54707812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).