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

C20H22N2O — CID 1178704

IUPAC3-[[benzyl(ethyl)amino]methyl]-2-methyl-1H-quinolin-4-one
SMILESCCN(Cc1ccccc1)Cc1c(C)[nH]c2ccccc2c1=O
InChIInChI=1S/C20H22N2O/c1-3-22(13-16-9-5-4-6-10-16)14-18-15(2)21-19-12-8-7-11-17(19)20(18)23/h4-12H,3,13-14H2,1-2H3,(H,21,23)
InChIKeyNRTIQVHBXRVRNJ-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.86
Rot. Bonds5

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

3-[[benzyl(ethyl)amino]methyl]-2-methyl-1H-quinolin-4-one (PubChem CID 1178704) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-[[benzyl(ethyl)amino]methyl]-2-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name3-[[benzyl(ethyl)amino]methyl]-2-methyl-1H-quinolin-4-one
PubChem CID1178704
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name3-[[benzyl(ethyl)amino]methyl]-2-methyl-1H-quinolin-4-one
SMILESCCN(Cc1ccccc1)Cc1c(C)[nH]c2ccccc2c1=O
InChIInChI=1S/C20H22N2O/c1-3-22(13-16-9-5-4-6-10-16)14-18-15(2)21-19-12-8-7-11-17(19)20(18)23/h4-12H,3,13-14H2,1-2H3,(H,21,23)
InChIKeyNRTIQVHBXRVRNJ-UHFFFAOYSA-N
XLogP3.86
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[benzyl(ethyl)amino]methyl]-2-methyl-6-phenylmethoxy-1H-quinolin-4-one
CID 2240333
2-methyl-3-propyl-1H-quinolin-4-one
CID 826058
3-[[ethyl-[(6-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]amino]methyl]-6-methoxy-2-methyl-1H-quinolin-4-one
CID 608539
3-[[cyclohexyl(ethyl)amino]methyl]-2-methyl-1H-quinolin-4-one
CID 728820
3-[[benzyl(methyl)amino]methyl]-6-bromo-2-methyl-1H-quinolin-4-one
CID 1189507
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-methyl-2-(2-methyl-1H-indol-3-yl)acetamide
CID 110702447
2-benzyl-3-ethyl-1H-quinolin-4-one
CID 131850781
ethyl 2-(2-methyl-4-oxo-1H-quinolin-3-yl)acetate
CID 70807104
methyl 3-(diethylaminomethyl)-2-methyl-4-oxo-1H-quinoline-6-carboxylate
CID 730971
2-benzyl-3-butyl-1H-quinolin-4-one
CID 131850780

Frequently Asked Questions

What is the IUPAC name of 3-[[benzyl(ethyl)amino]methyl]-2-methyl-1H-quinolin-4-one?
The IUPAC name of 3-[[benzyl(ethyl)amino]methyl]-2-methyl-1H-quinolin-4-one (CID 1178704) is 3-[[benzyl(ethyl)amino]methyl]-2-methyl-1H-quinolin-4-one.
What is the SMILES notation for 3-[[benzyl(ethyl)amino]methyl]-2-methyl-1H-quinolin-4-one?
The canonical SMILES for 3-[[benzyl(ethyl)amino]methyl]-2-methyl-1H-quinolin-4-one is CCN(Cc1ccccc1)Cc1c(C)[nH]c2ccccc2c1=O.
What is the InChIKey of 3-[[benzyl(ethyl)amino]methyl]-2-methyl-1H-quinolin-4-one?
The InChIKey is NRTIQVHBXRVRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-3-22(13-16-9-5-4-6-10-16)14-18-15(2)21-19-12-8-7-11-17(19)20(18)23/h4-12H,3,13-14H2,1-2H3,(H,21,23).
What are the key properties of 3-[[benzyl(ethyl)amino]methyl]-2-methyl-1H-quinolin-4-one?
3-[[benzyl(ethyl)amino]methyl]-2-methyl-1H-quinolin-4-one has a molecular weight of 306.41 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[benzyl(ethyl)amino]methyl]-2-methyl-1H-quinolin-4-one is sourced from PubChem (CID 1178704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).