3-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]propane-1-sulfinate

C19H25N4O3S- — CID 139451645

IUPAC3-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]propane-1-sulfinate
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1CCOCCCS(=O)[O-]
InChIInChI=1S/C19H26N4O3S/c1-2-3-9-16-22-17-18(14-7-4-5-8-15(14)21-19(17)20)23(16)10-12-26-11-6-13-27(24)25/h4-5,7-8H,2-3,6,9-13H2,1H3,(H2,20,21)(H,24,25)/p-1
InChIKeyIGNUWSSCPLSQLT-UHFFFAOYSA-M
MW389.50 g/mol
LogP2.80
Rot. Bonds10

About 3-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]propane-1-sulfinate

3-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]propane-1-sulfinate (PubChem CID 139451645) has the molecular formula C19H25N4O3S- and a molecular weight of 389.50 g/mol. Its IUPAC name is 3-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]propane-1-sulfinate.

Molecular Properties

Compound Name3-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]propane-1-sulfinate
PubChem CID139451645
Molecular FormulaC19H25N4O3S-
Molecular Weight389.50 g/mol
Exact Mass389.17
IUPAC Name3-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]propane-1-sulfinate
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1CCOCCCS(=O)[O-]
InChIInChI=1S/C19H26N4O3S/c1-2-3-9-16-22-17-18(14-7-4-5-8-15(14)21-19(17)20)23(16)10-12-26-11-6-13-27(24)25/h4-5,7-8H,2-3,6,9-13H2,1H3,(H2,20,21)(H,24,25)/p-1
InChIKeyIGNUWSSCPLSQLT-UHFFFAOYSA-M
XLogP2.80
TPSA106.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]benzamide
CID 20608822
4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[7-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)heptoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 163909468
2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine
CID 157447950
N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]benzamide;ethane
CID 142145306
N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-4-methylsulfonylbenzenesulfonamide
CID 20613699
N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]naphthalene-1-carboxamide
CID 20608821
2-butyl-1-(2-hex-5-en-2-ynoxyethyl)imidazo[4,5-c]quinolin-4-amine
CID 142145757
N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-2-phenylmethoxyacetamide
CID 20608837
2-butyl-1-[2-[2-(methylamino)ethoxy]ethyl]imidazo[4,5-c]quinolin-4-amine;ethane;formaldehyde;2-methylthiophene
CID 142145797
2-butyl-1-[4-(ethylaminooxy)butyl]imidazo[4,5-c]quinolin-4-amine;ethane
CID 143008375
1-[2-(3-prop-2-enylsulfonylpropoxy)ethyl]-2-propylimidazo[4,5-c]quinolin-4-amine
CID 143089135
2-butyl-1-[(4Z)-4-methoxyiminobutyl]imidazo[4,5-c]quinolin-4-amine
CID 87867716

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]propane-1-sulfinate?
The IUPAC name of 3-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]propane-1-sulfinate (CID 139451645) is 3-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]propane-1-sulfinate.
What is the SMILES notation for 3-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]propane-1-sulfinate?
The canonical SMILES for 3-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]propane-1-sulfinate is CCCCc1nc2c(N)nc3ccccc3c2n1CCOCCCS(=O)[O-].
What is the InChIKey of 3-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]propane-1-sulfinate?
The InChIKey is IGNUWSSCPLSQLT-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H26N4O3S/c1-2-3-9-16-22-17-18(14-7-4-5-8-15(14)21-19(17)20)23(16)10-12-26-11-6-13-27(24)25/h4-5,7-8H,2-3,6,9-13H2,1H3,(H2,20,21)(H,24,25)/p-1.
What are the key properties of 3-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]propane-1-sulfinate?
3-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]propane-1-sulfinate has a molecular weight of 389.50 g/mol, XLogP of 2.80, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]propane-1-sulfinate is sourced from PubChem (CID 139451645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).