1-(4-chlorobutyl)-2-propylimidazo[4,5-c]quinolin-4-amine

C17H21ClN4 — CID 22320471

IUPAC1-(4-chlorobutyl)-2-propylimidazo[4,5-c]quinolin-4-amine
SMILESCCCc1nc2c(N)nc3ccccc3c2n1CCCCCl
InChIInChI=1S/C17H21ClN4/c1-2-7-14-21-15-16(22(14)11-6-5-10-18)12-8-3-4-9-13(12)20-17(15)19/h3-4,8-9H,2,5-7,10-11H2,1H3,(H2,19,20)
InChIKeyCKXWVSJZKGUQJM-UHFFFAOYSA-N
MW316.84 g/mol
LogP4.14
Rot. Bonds6

About 1-(4-chlorobutyl)-2-propylimidazo[4,5-c]quinolin-4-amine

1-(4-chlorobutyl)-2-propylimidazo[4,5-c]quinolin-4-amine (PubChem CID 22320471) has the molecular formula C17H21ClN4 and a molecular weight of 316.84 g/mol. Its IUPAC name is 1-(4-chlorobutyl)-2-propylimidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name1-(4-chlorobutyl)-2-propylimidazo[4,5-c]quinolin-4-amine
PubChem CID22320471
Molecular FormulaC17H21ClN4
Molecular Weight316.84 g/mol
Exact Mass316.15
IUPAC Name1-(4-chlorobutyl)-2-propylimidazo[4,5-c]quinolin-4-amine
SMILESCCCc1nc2c(N)nc3ccccc3c2n1CCCCCl
InChIInChI=1S/C17H21ClN4/c1-2-7-14-21-15-16(22(14)11-6-5-10-18)12-8-3-4-9-13(12)20-17(15)19/h3-4,8-9H,2,5-7,10-11H2,1H3,(H2,19,20)
InChIKeyCKXWVSJZKGUQJM-UHFFFAOYSA-N
XLogP4.14
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.84
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butanoic acid
CID 141281240
2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine
CID 157447950
1-[4-[methoxy(methylsulfanyl)amino]butyl]-2-propylimidazo[4,5-c]quinolin-4-amine
CID 143056437
2-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]benzamide
CID 68821910
1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-4-amine
CID 11150246
1-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-1-methoxyurea
CID 58869094
N-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-1-methoxymethanesulfonamide
CID 91001458
[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]methanol
CID 138457331
1-butyl-2-(ethylaminomethyl)imidazo[4,5-c]quinolin-4-amine
CID 175027745
1-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butan-2-ol
CID 143198142
2-butyl-1-[4-(ethylaminooxy)butyl]imidazo[4,5-c]quinolin-4-amine;ethane
CID 143008375
2-ethyl-1-propylimidazo[4,5-c]quinolin-4-amine
CID 143008317

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobutyl)-2-propylimidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 1-(4-chlorobutyl)-2-propylimidazo[4,5-c]quinolin-4-amine (CID 22320471) is 1-(4-chlorobutyl)-2-propylimidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 1-(4-chlorobutyl)-2-propylimidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 1-(4-chlorobutyl)-2-propylimidazo[4,5-c]quinolin-4-amine is CCCc1nc2c(N)nc3ccccc3c2n1CCCCCl.
What is the InChIKey of 1-(4-chlorobutyl)-2-propylimidazo[4,5-c]quinolin-4-amine?
The InChIKey is CKXWVSJZKGUQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4/c1-2-7-14-21-15-16(22(14)11-6-5-10-18)12-8-3-4-9-13(12)20-17(15)19/h3-4,8-9H,2,5-7,10-11H2,1H3,(H2,19,20).
What are the key properties of 1-(4-chlorobutyl)-2-propylimidazo[4,5-c]quinolin-4-amine?
1-(4-chlorobutyl)-2-propylimidazo[4,5-c]quinolin-4-amine has a molecular weight of 316.84 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobutyl)-2-propylimidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 22320471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).