2-butyl-1-(2,2-dimethylpentyl)imidazo[4,5-c]quinolin-4-amine

C21H30N4 — CID 170078321

IUPAC2-butyl-1-(2,2-dimethylpentyl)imidazo[4,5-c]quinolin-4-amine
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)CCC
InChIInChI=1S/C21H30N4/c1-5-7-12-17-24-18-19(25(17)14-21(3,4)13-6-2)15-10-8-9-11-16(15)23-20(18)22/h8-11H,5-7,12-14H2,1-4H3,(H2,22,23)
InChIKeyTUABVPQFXMBFDO-UHFFFAOYSA-N
MW338.50 g/mol
LogP5.34
Rot. Bonds7

About 2-butyl-1-(2,2-dimethylpentyl)imidazo[4,5-c]quinolin-4-amine

2-butyl-1-(2,2-dimethylpentyl)imidazo[4,5-c]quinolin-4-amine (PubChem CID 170078321) has the molecular formula C21H30N4 and a molecular weight of 338.50 g/mol. Its IUPAC name is 2-butyl-1-(2,2-dimethylpentyl)imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name2-butyl-1-(2,2-dimethylpentyl)imidazo[4,5-c]quinolin-4-amine
PubChem CID170078321
Molecular FormulaC21H30N4
Molecular Weight338.50 g/mol
Exact Mass338.25
IUPAC Name2-butyl-1-(2,2-dimethylpentyl)imidazo[4,5-c]quinolin-4-amine
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)CCC
InChIInChI=1S/C21H30N4/c1-5-7-12-17-24-18-19(25(17)14-21(3,4)13-6-2)15-10-8-9-11-16(15)23-20(18)22/h8-11H,5-7,12-14H2,1-4H3,(H2,22,23)
InChIKeyTUABVPQFXMBFDO-UHFFFAOYSA-N
XLogP5.34
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.50
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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] formate
CID 169015832
benzyl 5-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-4,4-dimethylpentanoate
CID 170078489
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
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-[2-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropoxy]ethyl]formamide
CID 167498100
2-butyl-1-(4-tert-butylsulfanylbutyl)imidazo[4,5-c]quinolin-4-amine
CID 10287302
2-butyl-1-[(4-ethylphenyl)methyl]imidazo[4,5-c]quinolin-4-amine
CID 134510359
2-butyl-1-(furan-3-ylmethyl)imidazo[4,5-c]quinolin-4-amine
CID 177376202
1-(2-methylpropyl)-2-pentylimidazo[4,5-c]quinolin-4-amine
CID 11185992

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-(2,2-dimethylpentyl)imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 2-butyl-1-(2,2-dimethylpentyl)imidazo[4,5-c]quinolin-4-amine (CID 170078321) is 2-butyl-1-(2,2-dimethylpentyl)imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 2-butyl-1-(2,2-dimethylpentyl)imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 2-butyl-1-(2,2-dimethylpentyl)imidazo[4,5-c]quinolin-4-amine is CCCCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)CCC.
What is the InChIKey of 2-butyl-1-(2,2-dimethylpentyl)imidazo[4,5-c]quinolin-4-amine?
The InChIKey is TUABVPQFXMBFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4/c1-5-7-12-17-24-18-19(25(17)14-21(3,4)13-6-2)15-10-8-9-11-16(15)23-20(18)22/h8-11H,5-7,12-14H2,1-4H3,(H2,22,23).
What are the key properties of 2-butyl-1-(2,2-dimethylpentyl)imidazo[4,5-c]quinolin-4-amine?
2-butyl-1-(2,2-dimethylpentyl)imidazo[4,5-c]quinolin-4-amine has a molecular weight of 338.50 g/mol, XLogP of 5.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-(2,2-dimethylpentyl)imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 170078321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).