ethyl 4-(5-oxido-2-propylimidazo[4,5-c]quinolin-5-ium-1-yl)butanoate

C19H23N3O3 — CID 68931154

IUPACethyl 4-(5-oxido-2-propylimidazo[4,5-c]quinolin-5-ium-1-yl)butanoate
SMILESCCCc1nc2c[n+]([O-])c3ccccc3c2n1CCCC(=O)OCC
InChIInChI=1S/C19H23N3O3/c1-3-8-17-20-15-13-22(24)16-10-6-5-9-14(16)19(15)21(17)12-7-11-18(23)25-4-2/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3
InChIKeyMURAKZQHTLSNOF-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.12
Rot. Bonds7

About ethyl 4-(5-oxido-2-propylimidazo[4,5-c]quinolin-5-ium-1-yl)butanoate

ethyl 4-(5-oxido-2-propylimidazo[4,5-c]quinolin-5-ium-1-yl)butanoate (PubChem CID 68931154) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is ethyl 4-(5-oxido-2-propylimidazo[4,5-c]quinolin-5-ium-1-yl)butanoate.

Molecular Properties

Compound Nameethyl 4-(5-oxido-2-propylimidazo[4,5-c]quinolin-5-ium-1-yl)butanoate
PubChem CID68931154
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Nameethyl 4-(5-oxido-2-propylimidazo[4,5-c]quinolin-5-ium-1-yl)butanoate
SMILESCCCc1nc2c[n+]([O-])c3ccccc3c2n1CCCC(=O)OCC
InChIInChI=1S/C19H23N3O3/c1-3-8-17-20-15-13-22(24)16-10-6-5-9-14(16)19(15)21(17)12-7-11-18(23)25-4-2/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3
InChIKeyMURAKZQHTLSNOF-UHFFFAOYSA-N
XLogP3.12
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze ethyl 4-(5-oxido-2-propylimidazo[4,5-c]quinolin-5-ium-1-yl)butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 6-(2-propylimidazo[4,5-c]quinolin-1-yl)hexanoate
CID 57447018
N-[3-(2-butyl-5-oxidoimidazo[4,5-c]quinolin-5-ium-1-yl)propyl]methanesulfonamide
CID 22344412
ethyl 4-(1-propylbenzimidazol-2-yl)butanoate
CID 79754222
ethyl 4-[2-(fluoromethyl)benzimidazol-1-yl]butanoate
CID 155778339
(E)-N-[3-[2-(ethoxymethyl)-5-oxidoimidazo[4,5-c]quinolin-5-ium-1-yl]propoxy]-1-phenylmethanimine
CID 87867669
ethyl 4-[2-(chloromethyl)benzimidazol-1-yl]butanoate;hydrochloride
CID 162330589
4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butanoic acid
CID 141281240
tert-butyl N-[4-(2-ethyl-5-oxidoimidazo[4,5-c]quinolin-5-ium-1-yl)butyl]-N-(oxan-4-yl)carbamate
CID 67431480
[2-tert-butyl-2-[4-(2-ethyl-5-oxidoimidazo[4,5-c]quinolin-5-ium-1-yl)butyl]oxan-4-yl]carbamic acid
CID 67431478
[6-(2-ethyl-5-oxidoimidazo[4,5-c]quinolin-5-ium-1-yl)-2,2-dimethylhexan-3-yl] N-(oxan-4-yl)carbamate
CID 66897237
ethyl 4-[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]butanoate
CID 81135835
ethyl 4-[2-(chloromethyl)-6-fluorobenzimidazol-1-yl]butanoate
CID 64577778

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(5-oxido-2-propylimidazo[4,5-c]quinolin-5-ium-1-yl)butanoate?
The IUPAC name of ethyl 4-(5-oxido-2-propylimidazo[4,5-c]quinolin-5-ium-1-yl)butanoate (CID 68931154) is ethyl 4-(5-oxido-2-propylimidazo[4,5-c]quinolin-5-ium-1-yl)butanoate.
What is the SMILES notation for ethyl 4-(5-oxido-2-propylimidazo[4,5-c]quinolin-5-ium-1-yl)butanoate?
The canonical SMILES for ethyl 4-(5-oxido-2-propylimidazo[4,5-c]quinolin-5-ium-1-yl)butanoate is CCCc1nc2c[n+]([O-])c3ccccc3c2n1CCCC(=O)OCC.
What is the InChIKey of ethyl 4-(5-oxido-2-propylimidazo[4,5-c]quinolin-5-ium-1-yl)butanoate?
The InChIKey is MURAKZQHTLSNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-3-8-17-20-15-13-22(24)16-10-6-5-9-14(16)19(15)21(17)12-7-11-18(23)25-4-2/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3.
What are the key properties of ethyl 4-(5-oxido-2-propylimidazo[4,5-c]quinolin-5-ium-1-yl)butanoate?
ethyl 4-(5-oxido-2-propylimidazo[4,5-c]quinolin-5-ium-1-yl)butanoate has a molecular weight of 341.41 g/mol, XLogP of 3.12, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(5-oxido-2-propylimidazo[4,5-c]quinolin-5-ium-1-yl)butanoate is sourced from PubChem (CID 68931154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).