4-acetamido-N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-N-[(4-methoxyphenyl)methyl]benzamide

C31H34N4O5 — CID 118758559

IUPAC4-acetamido-N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CN(Cc2cc3c(OC)ccc(OC)c3nc2N(C)C)C(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C31H34N4O5/c1-20(36)32-24-11-9-22(10-12-24)31(37)35(18-21-7-13-25(38-4)14-8-21)19-23-17-26-27(39-5)15-16-28(40-6)29(26)33-30(23)34(2)3/h7-17H,18-19H2,1-6H3,(H,32,36)
InChIKeyFWKNCKMQPGDHHW-UHFFFAOYSA-N
MW542.64 g/mol
LogP5.13
Rot. Bonds10

About 4-acetamido-N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-N-[(4-methoxyphenyl)methyl]benzamide

4-acetamido-N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-N-[(4-methoxyphenyl)methyl]benzamide (PubChem CID 118758559) has the molecular formula C31H34N4O5 and a molecular weight of 542.64 g/mol. Its IUPAC name is 4-acetamido-N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-N-[(4-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-N-[(4-methoxyphenyl)methyl]benzamide
PubChem CID118758559
Molecular FormulaC31H34N4O5
Molecular Weight542.64 g/mol
Exact Mass542.25
IUPAC Name4-acetamido-N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CN(Cc2cc3c(OC)ccc(OC)c3nc2N(C)C)C(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C31H34N4O5/c1-20(36)32-24-11-9-22(10-12-24)31(37)35(18-21-7-13-25(38-4)14-8-21)19-23-17-26-27(39-5)15-16-28(40-6)29(26)33-30(23)34(2)3/h7-17H,18-19H2,1-6H3,(H,32,36)
InChIKeyFWKNCKMQPGDHHW-UHFFFAOYSA-N
XLogP5.13
TPSA93.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.64
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-acetamido-N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-N-[(4-methoxyphenyl)methyl]benzamide 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

N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-N-[(4-methoxyphenyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 26330353
N-(1,3-benzodioxol-5-ylmethyl)-N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]thiophene-2-carboxamide
CID 26397490
N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-N-(furan-2-ylmethyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 28640566
N-(4-acetamidophenyl)-2-[acetyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 113163156
3-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-1-[(3,4,5-trimethoxyphenyl)methyl]thiourea
CID 5201041
3-N,5-N-bis[[4-(dimethylamino)phenyl]methyl]-3-N,5-N-bis[(4-methoxyphenyl)methyl]pyridine-3,5-dicarboxamide
CID 164739686
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 113163149
N-[4-[(4-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 6462480
N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-N-(furan-2-ylmethyl)oxolane-2-carboxamide
CID 45253101
N-[(4-acetamidophenyl)methyl]-2-(5-acetyl-2-methoxyphenyl)acetamide
CID 18154107
N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-3-(2-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 26397869
4-[(4-methoxyphenyl)methylcarbamothioylamino]-N,N-dimethylbenzamide
CID 8684720

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-N-[(4-methoxyphenyl)methyl]benzamide?
The IUPAC name of 4-acetamido-N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-N-[(4-methoxyphenyl)methyl]benzamide (CID 118758559) is 4-acetamido-N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-N-[(4-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-acetamido-N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-N-[(4-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 4-acetamido-N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-N-[(4-methoxyphenyl)methyl]benzamide is COc1ccc(CN(Cc2cc3c(OC)ccc(OC)c3nc2N(C)C)C(=O)c2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of 4-acetamido-N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-N-[(4-methoxyphenyl)methyl]benzamide?
The InChIKey is FWKNCKMQPGDHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N4O5/c1-20(36)32-24-11-9-22(10-12-24)31(37)35(18-21-7-13-25(38-4)14-8-21)19-23-17-26-27(39-5)15-16-28(40-6)29(26)33-30(23)34(2)3/h7-17H,18-19H2,1-6H3,(H,32,36).
What are the key properties of 4-acetamido-N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-N-[(4-methoxyphenyl)methyl]benzamide?
4-acetamido-N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-N-[(4-methoxyphenyl)methyl]benzamide has a molecular weight of 542.64 g/mol, XLogP of 5.13, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-N-[(4-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 118758559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).