2-ethylsulfanyl-1-[[4-(piperazin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinolin-4-amine

C24H28N6S — CID 171466053

IUPAC2-ethylsulfanyl-1-[[4-(piperazin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinolin-4-amine
SMILESCCSc1nc2c(N)nc3ccccc3c2n1Cc1ccc(CN2CCNCC2)cc1
InChIInChI=1S/C24H28N6S/c1-2-31-24-28-21-22(19-5-3-4-6-20(19)27-23(21)25)30(24)16-18-9-7-17(8-10-18)15-29-13-11-26-12-14-29/h3-10,26H,2,11-16H2,1H3,(H2,25,27)
InChIKeyLMCQBBDSWQMYDT-UHFFFAOYSA-N
MW432.60 g/mol
LogP3.73
Rot. Bonds6

About 2-ethylsulfanyl-1-[[4-(piperazin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinolin-4-amine

2-ethylsulfanyl-1-[[4-(piperazin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinolin-4-amine (PubChem CID 171466053) has the molecular formula C24H28N6S and a molecular weight of 432.60 g/mol. Its IUPAC name is 2-ethylsulfanyl-1-[[4-(piperazin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name2-ethylsulfanyl-1-[[4-(piperazin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinolin-4-amine
PubChem CID171466053
Molecular FormulaC24H28N6S
Molecular Weight432.60 g/mol
Exact Mass432.21
IUPAC Name2-ethylsulfanyl-1-[[4-(piperazin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinolin-4-amine
SMILESCCSc1nc2c(N)nc3ccccc3c2n1Cc1ccc(CN2CCNCC2)cc1
InChIInChI=1S/C24H28N6S/c1-2-31-24-28-21-22(19-5-3-4-6-20(19)27-23(21)25)30(24)16-18-9-7-17(8-10-18)15-29-13-11-26-12-14-29/h3-10,26H,2,11-16H2,1H3,(H2,25,27)
InChIKeyLMCQBBDSWQMYDT-UHFFFAOYSA-N
XLogP3.73
TPSA72.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.60
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-ethylsulfanyl-1-[[4-(piperazin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinolin-4-amine with MolForge

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Related Compounds

2-(3,3-dimethylbutylsulfanyl)-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinolin-4-amine
CID 171466013
1-(2-methylpropyl)-2-(piperazin-1-ylmethyl)imidazo[4,5-c]quinolin-4-amine
CID 69318179
2-butyl-1-[(4-ethylphenyl)methyl]imidazo[4,5-c]quinolin-4-amine
CID 134510359
2-ethylsulfanyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one
CID 2086040
1-benzyl-2-ethylsulfanylbenzimidazole
CID 700789
1-(2-methylpropyl)-2-(morpholin-4-ylmethyl)imidazo[4,5-c]quinolin-4-amine
CID 10290980
1-[[4-[(4-amino-2-methylsulfanylimidazo[4,5-c]quinolin-1-yl)methyl]-3-methoxyphenyl]methyl]azetidin-3-ol
CID 171466060
6-[(4-methoxyphenyl)methyl]-2-methylsulfanyl-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinolin-4-amine
CID 175277962
azane;1-benzylpiperazine
CID 174866973
2-ethyl-1-propylimidazo[4,5-c]quinolin-4-amine
CID 143008317
2-butyl-1-[(4-nitrophenyl)methyl]imidazo[4,5-c]quinolin-4-amine
CID 90146175
1-[[4-[(dimethylamino)methyl]-2-methoxyphenyl]methyl]-2-methylsulfanylimidazo[4,5-c]quinolin-4-amine
CID 167226341

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-1-[[4-(piperazin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 2-ethylsulfanyl-1-[[4-(piperazin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinolin-4-amine (CID 171466053) is 2-ethylsulfanyl-1-[[4-(piperazin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 2-ethylsulfanyl-1-[[4-(piperazin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 2-ethylsulfanyl-1-[[4-(piperazin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinolin-4-amine is CCSc1nc2c(N)nc3ccccc3c2n1Cc1ccc(CN2CCNCC2)cc1.
What is the InChIKey of 2-ethylsulfanyl-1-[[4-(piperazin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinolin-4-amine?
The InChIKey is LMCQBBDSWQMYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6S/c1-2-31-24-28-21-22(19-5-3-4-6-20(19)27-23(21)25)30(24)16-18-9-7-17(8-10-18)15-29-13-11-26-12-14-29/h3-10,26H,2,11-16H2,1H3,(H2,25,27).
What are the key properties of 2-ethylsulfanyl-1-[[4-(piperazin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinolin-4-amine?
2-ethylsulfanyl-1-[[4-(piperazin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinolin-4-amine has a molecular weight of 432.60 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-1-[[4-(piperazin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 171466053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).