N-[2-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropoxy]ethyl]formamide

C22H31N5O2 — CID 167498100

IUPACN-[2-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropoxy]ethyl]formamide
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)COCCNC=O
InChIInChI=1S/C22H31N5O2/c1-4-5-10-18-26-19-20(16-8-6-7-9-17(16)25-21(19)23)27(18)13-22(2,3)14-29-12-11-24-15-28/h6-9,15H,4-5,10-14H2,1-3H3,(H2,23,25)(H,24,28)
InChIKeyLOUJSVSUXHQBLU-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.30
Rot. Bonds11

About N-[2-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropoxy]ethyl]formamide

N-[2-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropoxy]ethyl]formamide (PubChem CID 167498100) has the molecular formula C22H31N5O2 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-[2-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropoxy]ethyl]formamide.

Molecular Properties

Compound NameN-[2-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropoxy]ethyl]formamide
PubChem CID167498100
Molecular FormulaC22H31N5O2
Molecular Weight397.52 g/mol
Exact Mass397.25
IUPAC NameN-[2-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropoxy]ethyl]formamide
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)COCCNC=O
InChIInChI=1S/C22H31N5O2/c1-4-5-10-18-26-19-20(16-8-6-7-9-17(16)25-21(19)23)27(18)13-22(2,3)14-29-12-11-24-15-28/h6-9,15H,4-5,10-14H2,1-3H3,(H2,23,25)(H,24,28)
InChIKeyLOUJSVSUXHQBLU-UHFFFAOYSA-N
XLogP3.30
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropoxy]ethyl]formamide 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

[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropyl] formate
CID 169015832
3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropane-1-thiol
CID 166933556
2-butyl-1-(2,2-dimethylpentyl)imidazo[4,5-c]quinolin-4-amine
CID 170078321
tert-butyl N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropyl]carbamate
CID 166933579
[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropyl] 2-sulfanylethyl carbonate
CID 176816821
N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropyl]benzamide
CID 10410390
benzyl 5-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-4,4-dimethylpentanoate
CID 170078489
N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]benzamide
CID 20608822
N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]naphthalene-1-carboxamide
CID 20608821
N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]benzamide;ethane
CID 142145306
[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]methanol
CID 138457331
N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-2-phenylmethoxyacetamide
CID 20608837

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropoxy]ethyl]formamide?
The IUPAC name of N-[2-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropoxy]ethyl]formamide (CID 167498100) is N-[2-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropoxy]ethyl]formamide.
What is the SMILES notation for N-[2-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropoxy]ethyl]formamide?
The canonical SMILES for N-[2-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropoxy]ethyl]formamide is CCCCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)COCCNC=O.
What is the InChIKey of N-[2-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropoxy]ethyl]formamide?
The InChIKey is LOUJSVSUXHQBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2/c1-4-5-10-18-26-19-20(16-8-6-7-9-17(16)25-21(19)23)27(18)13-22(2,3)14-29-12-11-24-15-28/h6-9,15H,4-5,10-14H2,1-3H3,(H2,23,25)(H,24,28).
What are the key properties of N-[2-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropoxy]ethyl]formamide?
N-[2-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropoxy]ethyl]formamide has a molecular weight of 397.52 g/mol, XLogP of 3.30, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropoxy]ethyl]formamide is sourced from PubChem (CID 167498100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).