3-[[benzyl(methyl)amino]methyl]-4-hydroxy-6-methyl-1H-quinolin-2-one

C19H20N2O2 — CID 54710237

IUPAC3-[[benzyl(methyl)amino]methyl]-4-hydroxy-6-methyl-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(CN(C)Cc3ccccc3)c(O)c2c1
InChIInChI=1S/C19H20N2O2/c1-13-8-9-17-15(10-13)18(22)16(19(23)20-17)12-21(2)11-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H2,20,22,23)
InChIKeyOFPGANIOVWORPW-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.17
Rot. Bonds4

About 3-[[benzyl(methyl)amino]methyl]-4-hydroxy-6-methyl-1H-quinolin-2-one

3-[[benzyl(methyl)amino]methyl]-4-hydroxy-6-methyl-1H-quinolin-2-one (PubChem CID 54710237) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-[[benzyl(methyl)amino]methyl]-4-hydroxy-6-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[benzyl(methyl)amino]methyl]-4-hydroxy-6-methyl-1H-quinolin-2-one
PubChem CID54710237
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name3-[[benzyl(methyl)amino]methyl]-4-hydroxy-6-methyl-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(CN(C)Cc3ccccc3)c(O)c2c1
InChIInChI=1S/C19H20N2O2/c1-13-8-9-17-15(10-13)18(22)16(19(23)20-17)12-21(2)11-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H2,20,22,23)
InChIKeyOFPGANIOVWORPW-UHFFFAOYSA-N
XLogP3.17
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[benzyl(methyl)amino]methyl]-4-hydroxy-6-methyl-1H-quinolin-2-one with MolForge

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Related Compounds

3-[(benzyldiazenyl)methyl]-4-hydroxy-6-methyl-1H-quinolin-2-one
CID 123829287
3-benzyl-6-fluoro-4-hydroxy-1H-quinolin-2-one
CID 54703199
3-[[benzyl(methyl)amino]methyl]-6-bromo-2-methyl-1H-quinolin-4-one
CID 1189507
3-(azepan-1-ylmethyl)-4-hydroxy-6-methyl-1H-quinolin-2-one
CID 54676438
ethyl 3-[[benzyl(methyl)amino]methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylate
CID 1190137
3-[[benzyl(methyl)amino]methyl]-6-ethoxy-2-methyl-1H-quinolin-4-one
CID 696542
N-benzyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 858516
2-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]-6-methyl-1H-quinolin-4-one
CID 20931351
N-[(2,5-dimethylphenyl)methyl]-N-methyl-1-phenylmethanamine
CID 10610052
butane;4-hydroxy-6-methyl-2-oxo-1H-quinoline-3-carbonitrile
CID 143489828
2-(3-amino-6-methyl-2-oxo-1H-quinolin-4-yl)acetic acid
CID 115038738
N-benzyl-N-methyl-1-phenylmethanamine;oxalic acid
CID 163328136

Frequently Asked Questions

What is the IUPAC name of 3-[[benzyl(methyl)amino]methyl]-4-hydroxy-6-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[[benzyl(methyl)amino]methyl]-4-hydroxy-6-methyl-1H-quinolin-2-one (CID 54710237) is 3-[[benzyl(methyl)amino]methyl]-4-hydroxy-6-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[[benzyl(methyl)amino]methyl]-4-hydroxy-6-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[[benzyl(methyl)amino]methyl]-4-hydroxy-6-methyl-1H-quinolin-2-one is Cc1ccc2[nH]c(=O)c(CN(C)Cc3ccccc3)c(O)c2c1.
What is the InChIKey of 3-[[benzyl(methyl)amino]methyl]-4-hydroxy-6-methyl-1H-quinolin-2-one?
The InChIKey is OFPGANIOVWORPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-13-8-9-17-15(10-13)18(22)16(19(23)20-17)12-21(2)11-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H2,20,22,23).
What are the key properties of 3-[[benzyl(methyl)amino]methyl]-4-hydroxy-6-methyl-1H-quinolin-2-one?
3-[[benzyl(methyl)amino]methyl]-4-hydroxy-6-methyl-1H-quinolin-2-one has a molecular weight of 308.38 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[benzyl(methyl)amino]methyl]-4-hydroxy-6-methyl-1H-quinolin-2-one is sourced from PubChem (CID 54710237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).