1-[2-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]-3-cyclohexylurea

C24H34N6O3 — CID 10004113

IUPAC1-[2-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]-3-cyclohexylurea
SMILESCCOCc1nc2c(N)nc3ccccc3c2n1CCOCCNC(=O)NC1CCCCC1
InChIInChI=1S/C24H34N6O3/c1-2-32-16-20-29-21-22(18-10-6-7-11-19(18)28-23(21)25)30(20)13-15-33-14-12-26-24(31)27-17-8-4-3-5-9-17/h6-7,10-11,17H,2-5,8-9,12-16H2,1H3,(H2,25,28)(H2,26,27,31)
InChIKeyRABCHZGIHKCQEP-UHFFFAOYSA-N
MW454.58 g/mol
LogP3.35
Rot. Bonds10

About 1-[2-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]-3-cyclohexylurea

1-[2-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]-3-cyclohexylurea (PubChem CID 10004113) has the molecular formula C24H34N6O3 and a molecular weight of 454.58 g/mol. Its IUPAC name is 1-[2-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]-3-cyclohexylurea.

Molecular Properties

Compound Name1-[2-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]-3-cyclohexylurea
PubChem CID10004113
Molecular FormulaC24H34N6O3
Molecular Weight454.58 g/mol
Exact Mass454.27
IUPAC Name1-[2-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]-3-cyclohexylurea
SMILESCCOCc1nc2c(N)nc3ccccc3c2n1CCOCCNC(=O)NC1CCCCC1
InChIInChI=1S/C24H34N6O3/c1-2-32-16-20-29-21-22(18-10-6-7-11-19(18)28-23(21)25)30(20)13-15-33-14-12-26-24(31)27-17-8-4-3-5-9-17/h6-7,10-11,17H,2-5,8-9,12-16H2,1H3,(H2,25,28)(H2,26,27,31)
InChIKeyRABCHZGIHKCQEP-UHFFFAOYSA-N
XLogP3.35
TPSA116.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.58
LogP ≤ 53.35
H-Bond Donors ≤ 53
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 1-[2-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]-3-cyclohexylurea?
The IUPAC name of 1-[2-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]-3-cyclohexylurea (CID 10004113) is 1-[2-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]-3-cyclohexylurea.
What is the SMILES notation for 1-[2-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]-3-cyclohexylurea?
The canonical SMILES for 1-[2-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]-3-cyclohexylurea is CCOCc1nc2c(N)nc3ccccc3c2n1CCOCCNC(=O)NC1CCCCC1.
What is the InChIKey of 1-[2-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]-3-cyclohexylurea?
The InChIKey is RABCHZGIHKCQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O3/c1-2-32-16-20-29-21-22(18-10-6-7-11-19(18)28-23(21)25)30(20)13-15-33-14-12-26-24(31)27-17-8-4-3-5-9-17/h6-7,10-11,17H,2-5,8-9,12-16H2,1H3,(H2,25,28)(H2,26,27,31).
What are the key properties of 1-[2-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]-3-cyclohexylurea?
1-[2-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]-3-cyclohexylurea has a molecular weight of 454.58 g/mol, XLogP of 3.35, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]-3-cyclohexylurea is sourced from PubChem (CID 10004113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).