5-[7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentane-2-sulfonamide

C18H23BrN4O3S — CID 68817531

IUPAC5-[7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentane-2-sulfonamide
SMILESCCOCc1nc2cnc3cc(Br)ccc3c2n1CCCC(C)S(N)(=O)=O
InChIInChI=1S/C18H23BrN4O3S/c1-3-26-11-17-22-16-10-21-15-9-13(19)6-7-14(15)18(16)23(17)8-4-5-12(2)27(20,24)25/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H2,20,24,25)
InChIKeyPWQOICDBCWCNPI-UHFFFAOYSA-N
MW455.38 g/mol
LogP3.34
Rot. Bonds8

About 5-[7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentane-2-sulfonamide

5-[7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentane-2-sulfonamide (PubChem CID 68817531) has the molecular formula C18H23BrN4O3S and a molecular weight of 455.38 g/mol. Its IUPAC name is 5-[7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentane-2-sulfonamide.

Molecular Properties

Compound Name5-[7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentane-2-sulfonamide
PubChem CID68817531
Molecular FormulaC18H23BrN4O3S
Molecular Weight455.38 g/mol
Exact Mass454.07
IUPAC Name5-[7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentane-2-sulfonamide
SMILESCCOCc1nc2cnc3cc(Br)ccc3c2n1CCCC(C)S(N)(=O)=O
InChIInChI=1S/C18H23BrN4O3S/c1-3-26-11-17-22-16-10-21-15-9-13(19)6-7-14(15)18(16)23(17)8-4-5-12(2)27(20,24)25/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H2,20,24,25)
InChIKeyPWQOICDBCWCNPI-UHFFFAOYSA-N
XLogP3.34
TPSA100.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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]pentane-2-sulfonamide
CID 141135348
4-[7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl N-tert-butylcarbamate
CID 91324743
7-chloro-2-(ethoxymethyl)-1-(2-methylpropyl)imidazo[4,5-c]quinoline
CID 155213774
5-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentanamide
CID 57447092
(7-bromo-1-butan-2-ylimidazo[4,5-c]quinolin-2-yl)methyl acetate
CID 123424253
4-(7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butylcarbamic acid
CID 68822265
2-[4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl]isoindole-1,3-dione
CID 54490153
tert-butyl N-[4-(7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]carbamate
CID 86593760
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

Frequently Asked Questions

What is the IUPAC name of 5-[7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentane-2-sulfonamide?
The IUPAC name of 5-[7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentane-2-sulfonamide (CID 68817531) is 5-[7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentane-2-sulfonamide.
What is the SMILES notation for 5-[7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentane-2-sulfonamide?
The canonical SMILES for 5-[7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentane-2-sulfonamide is CCOCc1nc2cnc3cc(Br)ccc3c2n1CCCC(C)S(N)(=O)=O.
What is the InChIKey of 5-[7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentane-2-sulfonamide?
The InChIKey is PWQOICDBCWCNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN4O3S/c1-3-26-11-17-22-16-10-21-15-9-13(19)6-7-14(15)18(16)23(17)8-4-5-12(2)27(20,24)25/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H2,20,24,25).
What are the key properties of 5-[7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentane-2-sulfonamide?
5-[7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentane-2-sulfonamide has a molecular weight of 455.38 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentane-2-sulfonamide is sourced from PubChem (CID 68817531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).