7-N-[[4-(aminomethyl)phenyl]methyl]-1-benzyl-2-butylimidazo[4,5-c]quinoline-4,7-diamine;ethane

C31H38N6 — CID 169185513

IUPAC7-N-[[4-(aminomethyl)phenyl]methyl]-1-benzyl-2-butylimidazo[4,5-c]quinoline-4,7-diamine;ethane
SMILESCC.CCCCc1nc2c(N)nc3cc(NCc4ccc(CN)cc4)ccc3c2n1Cc1ccccc1
InChIInChI=1S/C29H32N6.C2H6/c1-2-3-9-26-34-27-28(35(26)19-22-7-5-4-6-8-22)24-15-14-23(16-25(24)33-29(27)31)32-18-21-12-10-20(17-30)11-13-21;1-2/h4-8,10-16,32H,2-3,9,17-19,30H2,1H3,(H2,31,33);1-2H3
InChIKeyDIFHDWLUQFDODL-UHFFFAOYSA-N
MW494.69 g/mol
LogP6.65
Rot. Bonds9

About 7-N-[[4-(aminomethyl)phenyl]methyl]-1-benzyl-2-butylimidazo[4,5-c]quinoline-4,7-diamine;ethane

7-N-[[4-(aminomethyl)phenyl]methyl]-1-benzyl-2-butylimidazo[4,5-c]quinoline-4,7-diamine;ethane (PubChem CID 169185513) has the molecular formula C31H38N6 and a molecular weight of 494.69 g/mol. Its IUPAC name is 7-N-[[4-(aminomethyl)phenyl]methyl]-1-benzyl-2-butylimidazo[4,5-c]quinoline-4,7-diamine;ethane.

Molecular Properties

Compound Name7-N-[[4-(aminomethyl)phenyl]methyl]-1-benzyl-2-butylimidazo[4,5-c]quinoline-4,7-diamine;ethane
PubChem CID169185513
Molecular FormulaC31H38N6
Molecular Weight494.69 g/mol
Exact Mass494.32
IUPAC Name7-N-[[4-(aminomethyl)phenyl]methyl]-1-benzyl-2-butylimidazo[4,5-c]quinoline-4,7-diamine;ethane
SMILESCC.CCCCc1nc2c(N)nc3cc(NCc4ccc(CN)cc4)ccc3c2n1Cc1ccccc1
InChIInChI=1S/C29H32N6.C2H6/c1-2-3-9-26-34-27-28(35(26)19-22-7-5-4-6-8-22)24-15-14-23(16-25(24)33-29(27)31)32-18-21-12-10-20(17-30)11-13-21;1-2/h4-8,10-16,32H,2-3,9,17-19,30H2,1H3,(H2,31,33);1-2H3
InChIKeyDIFHDWLUQFDODL-UHFFFAOYSA-N
XLogP6.65
TPSA94.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.69
LogP ≤ 56.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 7-N-[[4-(aminomethyl)phenyl]methyl]-1-benzyl-2-butylimidazo[4,5-c]quinoline-4,7-diamine;ethane 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

2-butyl-1-[(4-ethylphenyl)methyl]imidazo[4,5-c]quinolin-4-amine
CID 134510359
2-butyl-1-[[4-[(nonadecylamino)methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine
CID 138618993
2-butyl-1-[[3-[(tert-butylamino)methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine;2-butyl-1-[[4-(3,3-dimethylbutyl)phenyl]methyl]imidazo[4,5-c]quinolin-4-amine
CID 162258982
tert-butyl N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate
CID 71472212
2-butyl-1-[(3-phenoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine
CID 164926465
3-amino-N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-2-(propanoylamino)propanamide
CID 172627056
[4-(tert-butylamino)phenyl]methyl N-[[3-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate
CID 138645232
2-(2,2-dimethylbutanoylamino)ethyl N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate
CID 140918542
3-[[4-amino-8-(aminomethyl)-2-butylimidazo[4,5-c]quinolin-1-yl]methyl]benzene-1,2-diol
CID 161081613
2-butyl-1-(pyridin-3-ylmethyl)imidazo[4,5-c]quinolin-4-amine
CID 177376197
2-butyl-1-[(4-nitrophenyl)methyl]imidazo[4,5-c]quinolin-4-amine
CID 90146175
2-butyl-1-(furan-3-ylmethyl)imidazo[4,5-c]quinolin-4-amine
CID 177376202

Frequently Asked Questions

What is the IUPAC name of 7-N-[[4-(aminomethyl)phenyl]methyl]-1-benzyl-2-butylimidazo[4,5-c]quinoline-4,7-diamine;ethane?
The IUPAC name of 7-N-[[4-(aminomethyl)phenyl]methyl]-1-benzyl-2-butylimidazo[4,5-c]quinoline-4,7-diamine;ethane (CID 169185513) is 7-N-[[4-(aminomethyl)phenyl]methyl]-1-benzyl-2-butylimidazo[4,5-c]quinoline-4,7-diamine;ethane.
What is the SMILES notation for 7-N-[[4-(aminomethyl)phenyl]methyl]-1-benzyl-2-butylimidazo[4,5-c]quinoline-4,7-diamine;ethane?
The canonical SMILES for 7-N-[[4-(aminomethyl)phenyl]methyl]-1-benzyl-2-butylimidazo[4,5-c]quinoline-4,7-diamine;ethane is CC.CCCCc1nc2c(N)nc3cc(NCc4ccc(CN)cc4)ccc3c2n1Cc1ccccc1.
What is the InChIKey of 7-N-[[4-(aminomethyl)phenyl]methyl]-1-benzyl-2-butylimidazo[4,5-c]quinoline-4,7-diamine;ethane?
The InChIKey is DIFHDWLUQFDODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6.C2H6/c1-2-3-9-26-34-27-28(35(26)19-22-7-5-4-6-8-22)24-15-14-23(16-25(24)33-29(27)31)32-18-21-12-10-20(17-30)11-13-21;1-2/h4-8,10-16,32H,2-3,9,17-19,30H2,1H3,(H2,31,33);1-2H3.
What are the key properties of 7-N-[[4-(aminomethyl)phenyl]methyl]-1-benzyl-2-butylimidazo[4,5-c]quinoline-4,7-diamine;ethane?
7-N-[[4-(aminomethyl)phenyl]methyl]-1-benzyl-2-butylimidazo[4,5-c]quinoline-4,7-diamine;ethane has a molecular weight of 494.69 g/mol, XLogP of 6.65, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[[4-(aminomethyl)phenyl]methyl]-1-benzyl-2-butylimidazo[4,5-c]quinoline-4,7-diamine;ethane is sourced from PubChem (CID 169185513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).