N-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]-N-methylmethanesulfonamide

C18H25N5O2S — CID 70976292

IUPACN-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]-N-methylmethanesulfonamide
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1CCN(C)S(C)(=O)=O
InChIInChI=1S/C18H25N5O2S/c1-4-5-10-15-21-16-17(23(15)12-11-22(2)26(3,24)25)13-8-6-7-9-14(13)20-18(16)19/h6-9H,4-5,10-12H2,1-3H3,(H2,19,20)
InChIKeyJTXFLZUFNUHTII-UHFFFAOYSA-N
MW375.50 g/mol
LogP2.40
Rot. Bonds7

About N-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]-N-methylmethanesulfonamide

N-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]-N-methylmethanesulfonamide (PubChem CID 70976292) has the molecular formula C18H25N5O2S and a molecular weight of 375.50 g/mol. Its IUPAC name is N-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]-N-methylmethanesulfonamide
PubChem CID70976292
Molecular FormulaC18H25N5O2S
Molecular Weight375.50 g/mol
Exact Mass375.17
IUPAC NameN-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]-N-methylmethanesulfonamide
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1CCN(C)S(C)(=O)=O
InChIInChI=1S/C18H25N5O2S/c1-4-5-10-15-21-16-17(23(15)12-11-22(2)26(3,24)25)13-8-6-7-9-14(13)20-18(16)19/h6-9H,4-5,10-12H2,1-3H3,(H2,19,20)
InChIKeyJTXFLZUFNUHTII-UHFFFAOYSA-N
XLogP2.40
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine
CID 157447950
2-butyl-1-[4-[(4-ethylphenyl)methyl-methylamino]butyl]imidazo[4,5-c]quinolin-4-amine
CID 167298983
2-butyl-1-[4-(ethylaminooxy)butyl]imidazo[4,5-c]quinolin-4-amine;ethane
CID 143008375
N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl]benzamide
CID 23512725
N-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]naphthalene-1-sulfonamide
CID 20713987
2-butyl-1-(4-tert-butylsulfanylbutyl)imidazo[4,5-c]quinolin-4-amine
CID 10287302
4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butanoic acid
CID 141281240
3-amino-2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]benzenesulfonamide
CID 68799279
[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]methanol
CID 138457331
1-(4-chlorobutyl)-2-propylimidazo[4,5-c]quinolin-4-amine
CID 22320471
2-butyl-1-[4-[(2,3,4,5,6-pentamethylphenyl)sulfanylamino]butyl]imidazo[4,5-c]quinolin-4-amine
CID 142033105
2-butyl-1-[(4-ethylphenyl)methyl]imidazo[4,5-c]quinolin-4-amine
CID 134510359

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]-N-methylmethanesulfonamide (CID 70976292) is N-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]-N-methylmethanesulfonamide is CCCCc1nc2c(N)nc3ccccc3c2n1CCN(C)S(C)(=O)=O.
What is the InChIKey of N-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]-N-methylmethanesulfonamide?
The InChIKey is JTXFLZUFNUHTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2S/c1-4-5-10-15-21-16-17(23(15)12-11-22(2)26(3,24)25)13-8-6-7-9-14(13)20-18(16)19/h6-9H,4-5,10-12H2,1-3H3,(H2,19,20).
What are the key properties of N-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]-N-methylmethanesulfonamide?
N-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]-N-methylmethanesulfonamide has a molecular weight of 375.50 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 70976292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).