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

C21H29N5O3 — CID 130232652

IUPACethyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1OCCCCNC(=O)OCC
InChIInChI=1S/C21H29N5O3/c1-3-5-12-17-25-18-19(15-10-6-7-11-16(15)24-20(18)22)26(17)29-14-9-8-13-23-21(27)28-4-2/h6-7,10-11H,3-5,8-9,12-14H2,1-2H3,(H2,22,24)(H,23,27)
InChIKeyWLIVUXIQQQYOFZ-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.46
Rot. Bonds10

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

ethyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate (PubChem CID 130232652) has the molecular formula C21H29N5O3 and a molecular weight of 399.50 g/mol. Its IUPAC name is ethyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate
PubChem CID130232652
Molecular FormulaC21H29N5O3
Molecular Weight399.50 g/mol
Exact Mass399.23
IUPAC Nameethyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1OCCCCNC(=O)OCC
InChIInChI=1S/C21H29N5O3/c1-3-5-12-17-25-18-19(15-10-6-7-11-16(15)24-20(18)22)26(17)29-14-9-8-13-23-21(27)28-4-2/h6-7,10-11H,3-5,8-9,12-14H2,1-2H3,(H2,22,24)(H,23,27)
InChIKeyWLIVUXIQQQYOFZ-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 ethyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate?
The IUPAC name of ethyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate (CID 130232652) is ethyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate.
What is the SMILES notation for ethyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate?
The canonical SMILES for ethyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate is CCCCc1nc2c(N)nc3ccccc3c2n1OCCCCNC(=O)OCC.
What is the InChIKey of ethyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate?
The InChIKey is WLIVUXIQQQYOFZ-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)29-14-9-8-13-23-21(27)28-4-2/h6-7,10-11H,3-5,8-9,12-14H2,1-2H3,(H2,22,24)(H,23,27).
What are the key properties of ethyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate?
ethyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate 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 ethyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate is sourced from PubChem (CID 130232652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).