3-[[benzyl(ethyl)amino]methyl]-2,7,8-trimethyl-1H-quinolin-4-one

C22H26N2O — CID 702749

IUPAC3-[[benzyl(ethyl)amino]methyl]-2,7,8-trimethyl-1H-quinolin-4-one
SMILESCCN(Cc1ccccc1)Cc1c(C)[nH]c2c(C)c(C)ccc2c1=O
InChIInChI=1S/C22H26N2O/c1-5-24(13-18-9-7-6-8-10-18)14-20-17(4)23-21-16(3)15(2)11-12-19(21)22(20)25/h6-12H,5,13-14H2,1-4H3,(H,23,25)
InChIKeyUREBODTZKLAKPE-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.48
Rot. Bonds5

About 3-[[benzyl(ethyl)amino]methyl]-2,7,8-trimethyl-1H-quinolin-4-one

3-[[benzyl(ethyl)amino]methyl]-2,7,8-trimethyl-1H-quinolin-4-one (PubChem CID 702749) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is 3-[[benzyl(ethyl)amino]methyl]-2,7,8-trimethyl-1H-quinolin-4-one.

Molecular Properties

Compound Name3-[[benzyl(ethyl)amino]methyl]-2,7,8-trimethyl-1H-quinolin-4-one
PubChem CID702749
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name3-[[benzyl(ethyl)amino]methyl]-2,7,8-trimethyl-1H-quinolin-4-one
SMILESCCN(Cc1ccccc1)Cc1c(C)[nH]c2c(C)c(C)ccc2c1=O
InChIInChI=1S/C22H26N2O/c1-5-24(13-18-9-7-6-8-10-18)14-20-17(4)23-21-16(3)15(2)11-12-19(21)22(20)25/h6-12H,5,13-14H2,1-4H3,(H,23,25)
InChIKeyUREBODTZKLAKPE-UHFFFAOYSA-N
XLogP4.48
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[benzyl(ethyl)amino]methyl]-2,7,8-trimethyl-1H-quinolin-4-one?
The IUPAC name of 3-[[benzyl(ethyl)amino]methyl]-2,7,8-trimethyl-1H-quinolin-4-one (CID 702749) is 3-[[benzyl(ethyl)amino]methyl]-2,7,8-trimethyl-1H-quinolin-4-one.
What is the SMILES notation for 3-[[benzyl(ethyl)amino]methyl]-2,7,8-trimethyl-1H-quinolin-4-one?
The canonical SMILES for 3-[[benzyl(ethyl)amino]methyl]-2,7,8-trimethyl-1H-quinolin-4-one is CCN(Cc1ccccc1)Cc1c(C)[nH]c2c(C)c(C)ccc2c1=O.
What is the InChIKey of 3-[[benzyl(ethyl)amino]methyl]-2,7,8-trimethyl-1H-quinolin-4-one?
The InChIKey is UREBODTZKLAKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-5-24(13-18-9-7-6-8-10-18)14-20-17(4)23-21-16(3)15(2)11-12-19(21)22(20)25/h6-12H,5,13-14H2,1-4H3,(H,23,25).
What are the key properties of 3-[[benzyl(ethyl)amino]methyl]-2,7,8-trimethyl-1H-quinolin-4-one?
3-[[benzyl(ethyl)amino]methyl]-2,7,8-trimethyl-1H-quinolin-4-one has a molecular weight of 334.46 g/mol, XLogP of 4.48, 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]-2,7,8-trimethyl-1H-quinolin-4-one is sourced from PubChem (CID 702749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).