2-[2-[2-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]guanidine

C17H23N7O — CID 126651376

IUPAC2-[2-[2-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]guanidine
SMILESCCc1nc2c(N)nc3ccccc3c2n1CCOCCN=C(N)N
InChIInChI=1S/C17H23N7O/c1-2-13-23-14-15(11-5-3-4-6-12(11)22-16(14)18)24(13)8-10-25-9-7-21-17(19)20/h3-6H,2,7-10H2,1H3,(H2,18,22)(H4,19,20,21)
InChIKeyGYSOYFKMKRCSHV-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.02
Rot. Bonds7

About 2-[2-[2-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]guanidine

2-[2-[2-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]guanidine (PubChem CID 126651376) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is 2-[2-[2-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]guanidine.

Molecular Properties

Compound Name2-[2-[2-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]guanidine
PubChem CID126651376
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Name2-[2-[2-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]guanidine
SMILESCCc1nc2c(N)nc3ccccc3c2n1CCOCCN=C(N)N
InChIInChI=1S/C17H23N7O/c1-2-13-23-14-15(11-5-3-4-6-12(11)22-16(14)18)24(13)8-10-25-9-7-21-17(19)20/h3-6H,2,7-10H2,1H3,(H2,18,22)(H4,19,20,21)
InChIKeyGYSOYFKMKRCSHV-UHFFFAOYSA-N
XLogP1.02
TPSA130.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-(4-amino-2-methylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]guanidine
CID 126650950
2-ethyl-1-propylimidazo[4,5-c]quinolin-4-amine
CID 143008317
ethane;2-ethyl-1-propylimidazo[4,5-c]quinolin-4-amine
CID 143284639
2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]guanidine;hydrochloride
CID 126650986
2-amino-N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-5-(diaminomethylideneamino)pentanamide;ethane
CID 162737190
2-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)acetamide
CID 11623154
2-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethylcarbamic acid
CID 90884300
3-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]propane-1-sulfonamide
CID 68996460
1-(4-butylsulfanylbutyl)-2-ethylimidazo[4,5-c]quinolin-4-amine
CID 10309036
N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]benzamide
CID 20608822
3-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]propane-1-sulfinate
CID 139451645
N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]benzamide;ethane
CID 142145306

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]guanidine?
The IUPAC name of 2-[2-[2-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]guanidine (CID 126651376) is 2-[2-[2-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]guanidine.
What is the SMILES notation for 2-[2-[2-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]guanidine?
The canonical SMILES for 2-[2-[2-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]guanidine is CCc1nc2c(N)nc3ccccc3c2n1CCOCCN=C(N)N.
What is the InChIKey of 2-[2-[2-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]guanidine?
The InChIKey is GYSOYFKMKRCSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c1-2-13-23-14-15(11-5-3-4-6-12(11)22-16(14)18)24(13)8-10-25-9-7-21-17(19)20/h3-6H,2,7-10H2,1H3,(H2,18,22)(H4,19,20,21).
What are the key properties of 2-[2-[2-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]guanidine?
2-[2-[2-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]guanidine has a molecular weight of 341.42 g/mol, XLogP of 1.02, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]guanidine is sourced from PubChem (CID 126651376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).