1-(3-amino-2,2-dimethylpropyl)-2-butyl-7-chloroimidazo[4,5-c]quinolin-4-amine

C19H26ClN5 — CID 166933555

IUPAC1-(3-amino-2,2-dimethylpropyl)-2-butyl-7-chloroimidazo[4,5-c]quinolin-4-amine
SMILESCCCCc1nc2c(N)nc3cc(Cl)ccc3c2n1CC(C)(C)CN
InChIInChI=1S/C19H26ClN5/c1-4-5-6-15-24-16-17(25(15)11-19(2,3)10-21)13-8-7-12(20)9-14(13)23-18(16)22/h7-9H,4-6,10-11,21H2,1-3H3,(H2,22,23)
InChIKeyFSNDXNAQWCJHOW-UHFFFAOYSA-N
MW359.91 g/mol
LogP4.15
Rot. Bonds6

About 1-(3-amino-2,2-dimethylpropyl)-2-butyl-7-chloroimidazo[4,5-c]quinolin-4-amine

1-(3-amino-2,2-dimethylpropyl)-2-butyl-7-chloroimidazo[4,5-c]quinolin-4-amine (PubChem CID 166933555) has the molecular formula C19H26ClN5 and a molecular weight of 359.91 g/mol. Its IUPAC name is 1-(3-amino-2,2-dimethylpropyl)-2-butyl-7-chloroimidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name1-(3-amino-2,2-dimethylpropyl)-2-butyl-7-chloroimidazo[4,5-c]quinolin-4-amine
PubChem CID166933555
Molecular FormulaC19H26ClN5
Molecular Weight359.91 g/mol
Exact Mass359.19
IUPAC Name1-(3-amino-2,2-dimethylpropyl)-2-butyl-7-chloroimidazo[4,5-c]quinolin-4-amine
SMILESCCCCc1nc2c(N)nc3cc(Cl)ccc3c2n1CC(C)(C)CN
InChIInChI=1S/C19H26ClN5/c1-4-5-6-15-24-16-17(25(15)11-19(2,3)10-21)13-8-7-12(20)9-14(13)23-18(16)22/h7-9H,4-6,10-11,21H2,1-3H3,(H2,22,23)
InChIKeyFSNDXNAQWCJHOW-UHFFFAOYSA-N
XLogP4.15
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.91
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropyl] formate
CID 169015832
N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropyl]benzamide
CID 10410390
tert-butyl N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropyl]carbamate
CID 166933579
3-[[4-amino-2-butyl-7-(2-methylbutan-2-yl)imidazo[4,5-c]quinolin-1-yl]methyl]benzene-1,2-diol
CID 153388972
[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropyl] 2-sulfanylethyl carbonate
CID 176816821
benzyl 5-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-4,4-dimethylpentanoate
CID 170078489
7-N-[[4-(aminomethyl)phenyl]methyl]-1-benzyl-2-butylimidazo[4,5-c]quinoline-4,7-diamine;ethane
CID 169185513
2-butyl-1-ethyl-7-(4-propoxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine
CID 153388877
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

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2,2-dimethylpropyl)-2-butyl-7-chloroimidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 1-(3-amino-2,2-dimethylpropyl)-2-butyl-7-chloroimidazo[4,5-c]quinolin-4-amine (CID 166933555) is 1-(3-amino-2,2-dimethylpropyl)-2-butyl-7-chloroimidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 1-(3-amino-2,2-dimethylpropyl)-2-butyl-7-chloroimidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 1-(3-amino-2,2-dimethylpropyl)-2-butyl-7-chloroimidazo[4,5-c]quinolin-4-amine is CCCCc1nc2c(N)nc3cc(Cl)ccc3c2n1CC(C)(C)CN.
What is the InChIKey of 1-(3-amino-2,2-dimethylpropyl)-2-butyl-7-chloroimidazo[4,5-c]quinolin-4-amine?
The InChIKey is FSNDXNAQWCJHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN5/c1-4-5-6-15-24-16-17(25(15)11-19(2,3)10-21)13-8-7-12(20)9-14(13)23-18(16)22/h7-9H,4-6,10-11,21H2,1-3H3,(H2,22,23).
What are the key properties of 1-(3-amino-2,2-dimethylpropyl)-2-butyl-7-chloroimidazo[4,5-c]quinolin-4-amine?
1-(3-amino-2,2-dimethylpropyl)-2-butyl-7-chloroimidazo[4,5-c]quinolin-4-amine has a molecular weight of 359.91 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2,2-dimethylpropyl)-2-butyl-7-chloroimidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 166933555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).