benzyl 5-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-4,4-dimethylpentanoate

C28H34N4O2 — CID 170078489

IUPACbenzyl 5-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-4,4-dimethylpentanoate
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)CCC(=O)OCc1ccccc1
InChIInChI=1S/C28H34N4O2/c1-4-5-15-23-31-25-26(21-13-9-10-14-22(21)30-27(25)29)32(23)19-28(2,3)17-16-24(33)34-18-20-11-7-6-8-12-20/h6-14H,4-5,15-19H2,1-3H3,(H2,29,30)
InChIKeyBVOMKPYUBSUINL-UHFFFAOYSA-N
MW458.61 g/mol
LogP6.06
Rot. Bonds10

About benzyl 5-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-4,4-dimethylpentanoate

benzyl 5-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-4,4-dimethylpentanoate (PubChem CID 170078489) has the molecular formula C28H34N4O2 and a molecular weight of 458.61 g/mol. Its IUPAC name is benzyl 5-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-4,4-dimethylpentanoate.

Molecular Properties

Compound Namebenzyl 5-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-4,4-dimethylpentanoate
PubChem CID170078489
Molecular FormulaC28H34N4O2
Molecular Weight458.61 g/mol
Exact Mass458.27
IUPAC Namebenzyl 5-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-4,4-dimethylpentanoate
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)CCC(=O)OCc1ccccc1
InChIInChI=1S/C28H34N4O2/c1-4-5-15-23-31-25-26(21-13-9-10-14-22(21)30-27(25)29)32(23)19-28(2,3)17-16-24(33)34-18-20-11-7-6-8-12-20/h6-14H,4-5,15-19H2,1-3H3,(H2,29,30)
InChIKeyBVOMKPYUBSUINL-UHFFFAOYSA-N
XLogP6.06
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.61
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze benzyl 5-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-4,4-dimethylpentanoate with MolForge

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Related Compounds

2-butyl-1-(2,2-dimethylpentyl)imidazo[4,5-c]quinolin-4-amine
CID 170078321
3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropane-1-thiol
CID 166933556
[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropyl] 2-sulfanylethyl carbonate
CID 176816821
[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropyl] formate
CID 169015832
tert-butyl N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropyl]carbamate
CID 166933579
N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropyl]benzamide
CID 10410390
2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine
CID 157447950
N-[2-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropoxy]ethyl]formamide
CID 167498100
2-butyl-1-[(4-ethylphenyl)methyl]imidazo[4,5-c]quinolin-4-amine
CID 134510359
[4-(tert-butylamino)phenyl]methyl N-[[3-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate
CID 138645232
tert-butyl N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate
CID 71472212
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 benzyl 5-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-4,4-dimethylpentanoate?
The IUPAC name of benzyl 5-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-4,4-dimethylpentanoate (CID 170078489) is benzyl 5-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-4,4-dimethylpentanoate.
What is the SMILES notation for benzyl 5-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-4,4-dimethylpentanoate?
The canonical SMILES for benzyl 5-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-4,4-dimethylpentanoate is CCCCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)CCC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 5-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-4,4-dimethylpentanoate?
The InChIKey is BVOMKPYUBSUINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O2/c1-4-5-15-23-31-25-26(21-13-9-10-14-22(21)30-27(25)29)32(23)19-28(2,3)17-16-24(33)34-18-20-11-7-6-8-12-20/h6-14H,4-5,15-19H2,1-3H3,(H2,29,30).
What are the key properties of benzyl 5-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-4,4-dimethylpentanoate?
benzyl 5-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-4,4-dimethylpentanoate has a molecular weight of 458.61 g/mol, XLogP of 6.06, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 5-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-4,4-dimethylpentanoate is sourced from PubChem (CID 170078489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).