2-butyl-1-ethyl-7-(4-propoxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine

C23H34N4O — CID 153388877

IUPAC2-butyl-1-ethyl-7-(4-propoxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine
SMILESCCCCc1nc2c(N)nc3cc(C(C)CCOCCC)ccc3c2n1CC
InChIInChI=1S/C23H34N4O/c1-5-8-9-20-26-21-22(27(20)7-3)18-11-10-17(15-19(18)25-23(21)24)16(4)12-14-28-13-6-2/h10-11,15-16H,5-9,12-14H2,1-4H3,(H2,24,25)
InChIKeyNXCUERUQVYJYKG-UHFFFAOYSA-N
MW382.55 g/mol
LogP5.45
Rot. Bonds10

About 2-butyl-1-ethyl-7-(4-propoxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine

2-butyl-1-ethyl-7-(4-propoxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine (PubChem CID 153388877) has the molecular formula C23H34N4O and a molecular weight of 382.55 g/mol. Its IUPAC name is 2-butyl-1-ethyl-7-(4-propoxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name2-butyl-1-ethyl-7-(4-propoxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine
PubChem CID153388877
Molecular FormulaC23H34N4O
Molecular Weight382.55 g/mol
Exact Mass382.27
IUPAC Name2-butyl-1-ethyl-7-(4-propoxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine
SMILESCCCCc1nc2c(N)nc3cc(C(C)CCOCCC)ccc3c2n1CC
InChIInChI=1S/C23H34N4O/c1-5-8-9-20-26-21-22(27(20)7-3)18-11-10-17(15-19(18)25-23(21)24)16(4)12-14-28-13-6-2/h10-11,15-16H,5-9,12-14H2,1-4H3,(H2,24,25)
InChIKeyNXCUERUQVYJYKG-UHFFFAOYSA-N
XLogP5.45
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.55
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-amino-2,2-dimethylpropyl)-2-butyl-7-chloroimidazo[4,5-c]quinolin-4-amine
CID 166933555
methyl 1-(2-acetyloxypropyl)-4-amino-2-butylimidazo[4,5-c]quinoline-7-carboxylate
CID 130290425
methyl 4-amino-2-butyl-1-(5-methoxy-5-oxopentyl)imidazo[4,5-c]quinoline-7-carboxylate
CID 130289685
7-(3-aminopropoxy)-1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-4-amine
CID 58833712
1-(2-methylpropyl)-2-pentylimidazo[4,5-c]quinolin-4-amine
CID 11185992
3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropane-1-thiol
CID 166933556
2-heptyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine
CID 11739260
methyl 4-amino-2-butyl-1-[2-(dimethylamino)ethyl]imidazo[4,5-c]quinoline-7-carboxylate
CID 171647408
methyl 4-amino-2-butyl-1-(4-methoxy-4-oxobutyl)imidazo[4,5-c]quinoline-7-carboxylate
CID 130289627
methyl 4-amino-2-butyl-1-(2-methylsulfanylethyl)imidazo[4,5-c]quinoline-7-carboxylate
CID 130289620
2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine
CID 157447950
O-[3-(4-amino-7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)propyl]hydroxylamine
CID 68539386

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-ethyl-7-(4-propoxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 2-butyl-1-ethyl-7-(4-propoxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine (CID 153388877) is 2-butyl-1-ethyl-7-(4-propoxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 2-butyl-1-ethyl-7-(4-propoxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 2-butyl-1-ethyl-7-(4-propoxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine is CCCCc1nc2c(N)nc3cc(C(C)CCOCCC)ccc3c2n1CC.
What is the InChIKey of 2-butyl-1-ethyl-7-(4-propoxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine?
The InChIKey is NXCUERUQVYJYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O/c1-5-8-9-20-26-21-22(27(20)7-3)18-11-10-17(15-19(18)25-23(21)24)16(4)12-14-28-13-6-2/h10-11,15-16H,5-9,12-14H2,1-4H3,(H2,24,25).
What are the key properties of 2-butyl-1-ethyl-7-(4-propoxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine?
2-butyl-1-ethyl-7-(4-propoxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine has a molecular weight of 382.55 g/mol, XLogP of 5.45, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-ethyl-7-(4-propoxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 153388877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).