4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl N-ethylcarbamate

C21H29N5O3 — CID 130233005

IUPAC4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl N-ethylcarbamate
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1OCCCCOC(=O)NCC
InChIInChI=1S/C21H29N5O3/c1-3-5-12-17-25-18-19(15-10-6-7-11-16(15)24-20(18)22)26(17)29-14-9-8-13-28-21(27)23-4-2/h6-7,10-11H,3-5,8-9,12-14H2,1-2H3,(H2,22,24)(H,23,27)
InChIKeyWZRMONHOJDQHJX-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.46
Rot. Bonds10

About 4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl N-ethylcarbamate

4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl N-ethylcarbamate (PubChem CID 130233005) has the molecular formula C21H29N5O3 and a molecular weight of 399.50 g/mol. Its IUPAC name is 4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl N-ethylcarbamate.

Molecular Properties

Compound Name4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl N-ethylcarbamate
PubChem CID130233005
Molecular FormulaC21H29N5O3
Molecular Weight399.50 g/mol
Exact Mass399.23
IUPAC Name4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl N-ethylcarbamate
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1OCCCCOC(=O)NCC
InChIInChI=1S/C21H29N5O3/c1-3-5-12-17-25-18-19(15-10-6-7-11-16(15)24-20(18)22)26(17)29-14-9-8-13-28-21(27)23-4-2/h6-7,10-11H,3-5,8-9,12-14H2,1-2H3,(H2,22,24)(H,23,27)
InChIKeyWZRMONHOJDQHJX-UHFFFAOYSA-N
XLogP3.46
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl N-ethylcarbamate?
The IUPAC name of 4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl N-ethylcarbamate (CID 130233005) is 4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl N-ethylcarbamate.
What is the SMILES notation for 4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl N-ethylcarbamate?
The canonical SMILES for 4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl N-ethylcarbamate is CCCCc1nc2c(N)nc3ccccc3c2n1OCCCCOC(=O)NCC.
What is the InChIKey of 4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl N-ethylcarbamate?
The InChIKey is WZRMONHOJDQHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O3/c1-3-5-12-17-25-18-19(15-10-6-7-11-16(15)24-20(18)22)26(17)29-14-9-8-13-28-21(27)23-4-2/h6-7,10-11H,3-5,8-9,12-14H2,1-2H3,(H2,22,24)(H,23,27).
What are the key properties of 4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl N-ethylcarbamate?
4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl N-ethylcarbamate has a molecular weight of 399.50 g/mol, XLogP of 3.46, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl N-ethylcarbamate is sourced from PubChem (CID 130233005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).