2-heptyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine

C21H30N4 — CID 11739260

IUPAC2-heptyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine
SMILESCCCCCCCc1nc2c(N)nc3ccccc3c2n1CC(C)C
InChIInChI=1S/C21H30N4/c1-4-5-6-7-8-13-18-24-19-20(25(18)14-15(2)3)16-11-9-10-12-17(16)23-21(19)22/h9-12,15H,4-8,13-14H2,1-3H3,(H2,22,23)
InChIKeyBJZKTSFZARXTJH-UHFFFAOYSA-N
MW338.50 g/mol
LogP5.34
Rot. Bonds8

About 2-heptyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine

2-heptyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine (PubChem CID 11739260) has the molecular formula C21H30N4 and a molecular weight of 338.50 g/mol. Its IUPAC name is 2-heptyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name2-heptyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine
PubChem CID11739260
Molecular FormulaC21H30N4
Molecular Weight338.50 g/mol
Exact Mass338.25
IUPAC Name2-heptyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine
SMILESCCCCCCCc1nc2c(N)nc3ccccc3c2n1CC(C)C
InChIInChI=1S/C21H30N4/c1-4-5-6-7-8-13-18-24-19-20(25(18)14-15(2)3)16-11-9-10-12-17(16)23-21(19)22/h9-12,15H,4-8,13-14H2,1-3H3,(H2,22,23)
InChIKeyBJZKTSFZARXTJH-UHFFFAOYSA-N
XLogP5.34
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

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

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylpropyl)-2-pentylimidazo[4,5-c]quinolin-4-amine
CID 11185992
1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-4-amine
CID 11150246
2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine
CID 157447950
1-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butan-2-ol
CID 143198142
2-butyl-1-[(4-ethylphenyl)methyl]imidazo[4,5-c]quinolin-4-amine
CID 134510359
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
2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine
CID 67052415
2-butyl-1-[[4-[(nonadecylamino)methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine
CID 138618993
2-butyl-1-(furan-3-ylmethyl)imidazo[4,5-c]quinolin-4-amine
CID 177376202
1-(2-methylpropyl)-2-phenylimidazo[4,5-c]quinolin-4-amine
CID 11209291
2-butyl-1-(pyridin-3-ylmethyl)imidazo[4,5-c]quinolin-4-amine
CID 177376197

Frequently Asked Questions

What is the IUPAC name of 2-heptyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 2-heptyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine (CID 11739260) is 2-heptyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 2-heptyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 2-heptyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine is CCCCCCCc1nc2c(N)nc3ccccc3c2n1CC(C)C.
What is the InChIKey of 2-heptyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine?
The InChIKey is BJZKTSFZARXTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4/c1-4-5-6-7-8-13-18-24-19-20(25(18)14-15(2)3)16-11-9-10-12-17(16)23-21(19)22/h9-12,15H,4-8,13-14H2,1-3H3,(H2,22,23).
What are the key properties of 2-heptyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine?
2-heptyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine has a molecular weight of 338.50 g/mol, XLogP of 5.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 11739260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).