3-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]propane-1-sulfonamide

C18H25N5O4S — CID 68996460

IUPAC3-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]propane-1-sulfonamide
SMILESCCOCc1nc2c(N)nc3ccccc3c2n1CCOCCCS(N)(=O)=O
InChIInChI=1S/C18H25N5O4S/c1-2-26-12-15-22-16-17(13-6-3-4-7-14(13)21-18(16)19)23(15)8-10-27-9-5-11-28(20,24)25/h3-4,6-7H,2,5,8-12H2,1H3,(H2,19,21)(H2,20,24,25)
InChIKeyOUHQLEXLAQHNLY-UHFFFAOYSA-N
MW407.50 g/mol
LogP1.40
Rot. Bonds10

About 3-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]propane-1-sulfonamide

3-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]propane-1-sulfonamide (PubChem CID 68996460) has the molecular formula C18H25N5O4S and a molecular weight of 407.50 g/mol. Its IUPAC name is 3-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]propane-1-sulfonamide.

Molecular Properties

Compound Name3-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]propane-1-sulfonamide
PubChem CID68996460
Molecular FormulaC18H25N5O4S
Molecular Weight407.50 g/mol
Exact Mass407.16
IUPAC Name3-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]propane-1-sulfonamide
SMILESCCOCc1nc2c(N)nc3ccccc3c2n1CCOCCCS(N)(=O)=O
InChIInChI=1S/C18H25N5O4S/c1-2-26-12-15-22-16-17(13-6-3-4-7-14(13)21-18(16)19)23(15)8-10-27-9-5-11-28(20,24)25/h3-4,6-7H,2,5,8-12H2,1H3,(H2,19,21)(H2,20,24,25)
InChIKeyOUHQLEXLAQHNLY-UHFFFAOYSA-N
XLogP1.40
TPSA135.35 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethylcarbamic acid
CID 90884300
1-(3-aminopropyl)-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine
CID 22344434
2-(ethoxymethyl)-1-ethylimidazo[4,5-c]quinolin-4-amine
CID 122646444
tert-butyl N-[3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl]carbamate
CID 10046489
1-[2-(3-prop-2-enylsulfonylpropoxy)ethyl]-2-propylimidazo[4,5-c]quinolin-4-amine
CID 143089135
N-[3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl]-2-chloroacetamide
CID 172692306
4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]butane-1-sulfonamide
CID 68999199
2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-4-amine
CID 118146427
2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethylcarbamic acid
CID 146308241
2-(ethoxymethyl)-1-[3-(propan-2-ylideneamino)oxypropyl]imidazo[4,5-c]quinolin-4-amine
CID 58835308
1-[2-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]-3-cyclohexylurea
CID 10004113
(NE)-N-[5-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentan-2-ylidene]hydroxylamine
CID 58869097

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]propane-1-sulfonamide?
The IUPAC name of 3-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]propane-1-sulfonamide (CID 68996460) is 3-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]propane-1-sulfonamide.
What is the SMILES notation for 3-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]propane-1-sulfonamide?
The canonical SMILES for 3-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]propane-1-sulfonamide is CCOCc1nc2c(N)nc3ccccc3c2n1CCOCCCS(N)(=O)=O.
What is the InChIKey of 3-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]propane-1-sulfonamide?
The InChIKey is OUHQLEXLAQHNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O4S/c1-2-26-12-15-22-16-17(13-6-3-4-7-14(13)21-18(16)19)23(15)8-10-27-9-5-11-28(20,24)25/h3-4,6-7H,2,5,8-12H2,1H3,(H2,19,21)(H2,20,24,25).
What are the key properties of 3-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]propane-1-sulfonamide?
3-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]propane-1-sulfonamide has a molecular weight of 407.50 g/mol, XLogP of 1.40, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]propane-1-sulfonamide is sourced from PubChem (CID 68996460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).