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

C27H28N2O2 — CID 2240333

IUPAC3-[[benzyl(ethyl)amino]methyl]-2-methyl-6-phenylmethoxy-1H-quinolin-4-one
SMILESCCN(Cc1ccccc1)Cc1c(C)[nH]c2ccc(OCc3ccccc3)cc2c1=O
InChIInChI=1S/C27H28N2O2/c1-3-29(17-21-10-6-4-7-11-21)18-25-20(2)28-26-15-14-23(16-24(26)27(25)30)31-19-22-12-8-5-9-13-22/h4-16H,3,17-19H2,1-2H3,(H,28,30)
InChIKeyXFOQRACRUBXFDP-UHFFFAOYSA-N
MW412.53 g/mol
LogP5.44
Rot. Bonds8

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

3-[[benzyl(ethyl)amino]methyl]-2-methyl-6-phenylmethoxy-1H-quinolin-4-one (PubChem CID 2240333) has the molecular formula C27H28N2O2 and a molecular weight of 412.53 g/mol. Its IUPAC name is 3-[[benzyl(ethyl)amino]methyl]-2-methyl-6-phenylmethoxy-1H-quinolin-4-one.

Molecular Properties

Compound Name3-[[benzyl(ethyl)amino]methyl]-2-methyl-6-phenylmethoxy-1H-quinolin-4-one
PubChem CID2240333
Molecular FormulaC27H28N2O2
Molecular Weight412.53 g/mol
Exact Mass412.22
IUPAC Name3-[[benzyl(ethyl)amino]methyl]-2-methyl-6-phenylmethoxy-1H-quinolin-4-one
SMILESCCN(Cc1ccccc1)Cc1c(C)[nH]c2ccc(OCc3ccccc3)cc2c1=O
InChIInChI=1S/C27H28N2O2/c1-3-29(17-21-10-6-4-7-11-21)18-25-20(2)28-26-15-14-23(16-24(26)27(25)30)31-19-22-12-8-5-9-13-22/h4-16H,3,17-19H2,1-2H3,(H,28,30)
InChIKeyXFOQRACRUBXFDP-UHFFFAOYSA-N
XLogP5.44
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.53
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[butyl(methyl)amino]methyl]-2-methyl-6-phenylmethoxy-1H-quinolin-4-one
CID 2240325
3-[[benzyl(ethyl)amino]methyl]-2-methyl-1H-quinolin-4-one
CID 1178704
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-[[benzyl(methyl)amino]methyl]-6-ethoxy-2-methyl-1H-quinolin-4-one
CID 696542
3-[[benzyl(methyl)amino]methyl]-6-bromo-2-methyl-1H-quinolin-4-one
CID 1189507
methyl 3-(diethylaminomethyl)-2-methyl-4-oxo-1H-quinoline-6-carboxylate
CID 730971
ethyl 3-[[benzyl(methyl)amino]methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylate
CID 1190137
N-ethyl-N-[(3-phenylmethoxyphenyl)methyl]ethanamine
CID 4675153
1-(3-methyl-5-phenylmethoxy-1H-indol-2-yl)propan-1-one
CID 143156217
2-nitro-7-phenylmethoxy-10H-acridin-9-one
CID 66572851
3-ethyl-2-methyl-6-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one
CID 60999159
2-[5-[(4-chlorophenyl)methoxy]-2-methyl-1H-indol-3-yl]acetic acid
CID 4569449

Frequently Asked Questions

What is the IUPAC name of 3-[[benzyl(ethyl)amino]methyl]-2-methyl-6-phenylmethoxy-1H-quinolin-4-one?
The IUPAC name of 3-[[benzyl(ethyl)amino]methyl]-2-methyl-6-phenylmethoxy-1H-quinolin-4-one (CID 2240333) is 3-[[benzyl(ethyl)amino]methyl]-2-methyl-6-phenylmethoxy-1H-quinolin-4-one.
What is the SMILES notation for 3-[[benzyl(ethyl)amino]methyl]-2-methyl-6-phenylmethoxy-1H-quinolin-4-one?
The canonical SMILES for 3-[[benzyl(ethyl)amino]methyl]-2-methyl-6-phenylmethoxy-1H-quinolin-4-one is CCN(Cc1ccccc1)Cc1c(C)[nH]c2ccc(OCc3ccccc3)cc2c1=O.
What is the InChIKey of 3-[[benzyl(ethyl)amino]methyl]-2-methyl-6-phenylmethoxy-1H-quinolin-4-one?
The InChIKey is XFOQRACRUBXFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O2/c1-3-29(17-21-10-6-4-7-11-21)18-25-20(2)28-26-15-14-23(16-24(26)27(25)30)31-19-22-12-8-5-9-13-22/h4-16H,3,17-19H2,1-2H3,(H,28,30).
What are the key properties of 3-[[benzyl(ethyl)amino]methyl]-2-methyl-6-phenylmethoxy-1H-quinolin-4-one?
3-[[benzyl(ethyl)amino]methyl]-2-methyl-6-phenylmethoxy-1H-quinolin-4-one has a molecular weight of 412.53 g/mol, XLogP of 5.44, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[benzyl(ethyl)amino]methyl]-2-methyl-6-phenylmethoxy-1H-quinolin-4-one is sourced from PubChem (CID 2240333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).