5-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentane-2-sulfonamide

C18H24N4O3S — CID 141135348

IUPAC5-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentane-2-sulfonamide
SMILESCCOCc1nc2cnc3ccccc3c2n1CCCC(C)S(N)(=O)=O
InChIInChI=1S/C18H24N4O3S/c1-3-25-12-17-21-16-11-20-15-9-5-4-8-14(15)18(16)22(17)10-6-7-13(2)26(19,23)24/h4-5,8-9,11,13H,3,6-7,10,12H2,1-2H3,(H2,19,23,24)
InChIKeyQTRYHQUQLHVWNA-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.58
Rot. Bonds8

About 5-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentane-2-sulfonamide

5-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentane-2-sulfonamide (PubChem CID 141135348) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is 5-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentane-2-sulfonamide.

Molecular Properties

Compound Name5-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentane-2-sulfonamide
PubChem CID141135348
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Name5-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentane-2-sulfonamide
SMILESCCOCc1nc2cnc3ccccc3c2n1CCCC(C)S(N)(=O)=O
InChIInChI=1S/C18H24N4O3S/c1-3-25-12-17-21-16-11-20-15-9-5-4-8-14(15)18(16)22(17)10-6-7-13(2)26(19,23)24/h4-5,8-9,11,13H,3,6-7,10,12H2,1-2H3,(H2,19,23,24)
InChIKeyQTRYHQUQLHVWNA-UHFFFAOYSA-N
XLogP2.58
TPSA100.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentane-2-sulfonamide
CID 68817531
6-[7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]hexane-2-sulfonamide
CID 68817958
5-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentanamide
CID 57447092
2-[4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl]isoindole-1,3-dione
CID 54490153
ethyl 3-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propanoate
CID 57447047
O-[4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl] ethanethioate
CID 91445036
4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-N-(4-methoxyphenyl)butane-1-sulfonamide
CID 68999938
tert-butyl N-[4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl]carbamate
CID 86668284
2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinoline
CID 118146486
3-[2-(propoxymethyl)imidazo[4,5-c]quinolin-1-yl]propylcarbamic acid
CID 67224202
2-(ethoxymethyl)-1-[[1-(2-methylsulfonylethoxy)cyclobutyl]methyl]imidazo[4,5-c]quinoline
CID 67203636
4-[2-(ethoxymethyl)-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]butan-1-amine
CID 141108816

Frequently Asked Questions

What is the IUPAC name of 5-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentane-2-sulfonamide?
The IUPAC name of 5-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentane-2-sulfonamide (CID 141135348) is 5-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentane-2-sulfonamide.
What is the SMILES notation for 5-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentane-2-sulfonamide?
The canonical SMILES for 5-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentane-2-sulfonamide is CCOCc1nc2cnc3ccccc3c2n1CCCC(C)S(N)(=O)=O.
What is the InChIKey of 5-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentane-2-sulfonamide?
The InChIKey is QTRYHQUQLHVWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-3-25-12-17-21-16-11-20-15-9-5-4-8-14(15)18(16)22(17)10-6-7-13(2)26(19,23)24/h4-5,8-9,11,13H,3,6-7,10,12H2,1-2H3,(H2,19,23,24).
What are the key properties of 5-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentane-2-sulfonamide?
5-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentane-2-sulfonamide has a molecular weight of 376.48 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentane-2-sulfonamide is sourced from PubChem (CID 141135348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).