1-[1-(4-butoxyphenyl)-3-ethoxypropan-2-yl]imidazo[4,5-c]quinolin-4-amine

C25H30N4O2 — CID 155355545

IUPAC1-[1-(4-butoxyphenyl)-3-ethoxypropan-2-yl]imidazo[4,5-c]quinolin-4-amine
SMILESCCCCOc1ccc(CC(COCC)n2cnc3c(N)nc4ccccc4c32)cc1
InChIInChI=1S/C25H30N4O2/c1-3-5-14-31-20-12-10-18(11-13-20)15-19(16-30-4-2)29-17-27-23-24(29)21-8-6-7-9-22(21)28-25(23)26/h6-13,17,19H,3-5,14-16H2,1-2H3,(H2,26,28)
InChIKeyXLDZGCHKOGBAKZ-UHFFFAOYSA-N
MW418.54 g/mol
LogP5.17
Rot. Bonds10

About 1-[1-(4-butoxyphenyl)-3-ethoxypropan-2-yl]imidazo[4,5-c]quinolin-4-amine

1-[1-(4-butoxyphenyl)-3-ethoxypropan-2-yl]imidazo[4,5-c]quinolin-4-amine (PubChem CID 155355545) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 1-[1-(4-butoxyphenyl)-3-ethoxypropan-2-yl]imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name1-[1-(4-butoxyphenyl)-3-ethoxypropan-2-yl]imidazo[4,5-c]quinolin-4-amine
PubChem CID155355545
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name1-[1-(4-butoxyphenyl)-3-ethoxypropan-2-yl]imidazo[4,5-c]quinolin-4-amine
SMILESCCCCOc1ccc(CC(COCC)n2cnc3c(N)nc4ccccc4c32)cc1
InChIInChI=1S/C25H30N4O2/c1-3-5-14-31-20-12-10-18(11-13-20)15-19(16-30-4-2)29-17-27-23-24(29)21-8-6-7-9-22(21)28-25(23)26/h6-13,17,19H,3-5,14-16H2,1-2H3,(H2,26,28)
InChIKeyXLDZGCHKOGBAKZ-UHFFFAOYSA-N
XLogP5.17
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R)-1-(4-butoxyphenyl)hexan-2-yl]imidazo[4,5-c]quinolin-4-amine;hydrochloride
CID 162715622
1-[(2R)-1-methoxy-3-phenylpropan-2-yl]imidazo[4,5-c]quinolin-4-amine;hydrochloride
CID 162715621
1-[(2R)-1-ethoxy-3-methylbutan-2-yl]imidazo[4,5-c]quinolin-4-amine
CID 146637091
4-(4-aminoimidazo[4,5-c]quinolin-1-yl)-5-methoxy-2-methylpentan-2-ol
CID 150473168
1-[1-(2-piperidin-4-ylethoxy)butan-2-yl]imidazo[4,5-c]quinolin-4-amine
CID 10270339
(3S)-3-(4-aminoimidazo[4,5-c]quinolin-1-yl)-2-methylheptan-2-ol
CID 155368524
1-[(2S)-3-methylbutan-2-yl]imidazo[4,5-c]quinolin-4-amine
CID 155368483
1-[1-(2-aminoethoxy)ethyl]imidazo[4,5-c]quinolin-4-amine
CID 152657233
4-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)-3-methylbutoxy]benzoic acid
CID 59119319
1-[(2R)-1-[[4-(trifluoromethyl)phenyl]methoxy]propan-2-yl]imidazo[4,5-c]quinolin-4-amine
CID 142145754
1-hexadecylimidazo[4,5-c]quinolin-4-amine
CID 11418374
1-[3-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)butoxy]ethyl]hexyl]-3-propan-2-ylurea
CID 142145838

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-butoxyphenyl)-3-ethoxypropan-2-yl]imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 1-[1-(4-butoxyphenyl)-3-ethoxypropan-2-yl]imidazo[4,5-c]quinolin-4-amine (CID 155355545) is 1-[1-(4-butoxyphenyl)-3-ethoxypropan-2-yl]imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 1-[1-(4-butoxyphenyl)-3-ethoxypropan-2-yl]imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 1-[1-(4-butoxyphenyl)-3-ethoxypropan-2-yl]imidazo[4,5-c]quinolin-4-amine is CCCCOc1ccc(CC(COCC)n2cnc3c(N)nc4ccccc4c32)cc1.
What is the InChIKey of 1-[1-(4-butoxyphenyl)-3-ethoxypropan-2-yl]imidazo[4,5-c]quinolin-4-amine?
The InChIKey is XLDZGCHKOGBAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-3-5-14-31-20-12-10-18(11-13-20)15-19(16-30-4-2)29-17-27-23-24(29)21-8-6-7-9-22(21)28-25(23)26/h6-13,17,19H,3-5,14-16H2,1-2H3,(H2,26,28).
What are the key properties of 1-[1-(4-butoxyphenyl)-3-ethoxypropan-2-yl]imidazo[4,5-c]quinolin-4-amine?
1-[1-(4-butoxyphenyl)-3-ethoxypropan-2-yl]imidazo[4,5-c]quinolin-4-amine has a molecular weight of 418.54 g/mol, XLogP of 5.17, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-butoxyphenyl)-3-ethoxypropan-2-yl]imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 155355545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).