1-hexadecylimidazo[4,5-c]quinolin-4-amine

C26H40N4 — CID 11418374

IUPAC1-hexadecylimidazo[4,5-c]quinolin-4-amine
SMILESCCCCCCCCCCCCCCCCn1cnc2c(N)nc3ccccc3c21
InChIInChI=1S/C26H40N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-30-21-28-24-25(30)22-18-15-16-19-23(22)29-26(24)27/h15-16,18-19,21H,2-14,17,20H2,1H3,(H2,27,29)
InChIKeyIQRQKYKEQPMBCG-UHFFFAOYSA-N
MW408.63 g/mol
LogP7.65
Rot. Bonds15

About 1-hexadecylimidazo[4,5-c]quinolin-4-amine

1-hexadecylimidazo[4,5-c]quinolin-4-amine (PubChem CID 11418374) has the molecular formula C26H40N4 and a molecular weight of 408.63 g/mol. Its IUPAC name is 1-hexadecylimidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name1-hexadecylimidazo[4,5-c]quinolin-4-amine
PubChem CID11418374
Molecular FormulaC26H40N4
Molecular Weight408.63 g/mol
Exact Mass408.33
IUPAC Name1-hexadecylimidazo[4,5-c]quinolin-4-amine
SMILESCCCCCCCCCCCCCCCCn1cnc2c(N)nc3ccccc3c21
InChIInChI=1S/C26H40N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-30-21-28-24-25(30)22-18-15-16-19-23(22)29-26(24)27/h15-16,18-19,21H,2-14,17,20H2,1H3,(H2,27,29)
InChIKeyIQRQKYKEQPMBCG-UHFFFAOYSA-N
XLogP7.65
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.63
LogP ≤ 57.65
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-(3-aminopropyl)imidazo[4,5-c]quinolin-4-amine
CID 18783973
N-[8-(4-aminoimidazo[4,5-c]quinolin-1-yl)octyl]methanesulfonamide
CID 10362916
1-butylimidazo[4,5-c]quinoline-4-carboxamide
CID 25006952
methyl 10-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butylamino]-10-oxodecanoate
CID 23381326
1-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-3-methyl-1-phenylurea
CID 142653136
2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine
CID 157447950
N-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-2-phenoxypropanamide
CID 23512668
1-(3-aminoprop-2-enyl)imidazo[4,5-c]quinolin-4-amine
CID 69327873
1-butylimidazo[4,5-c]quinoline-4-carboxamide;2-(methylamino)acetic acid;hydroiodide
CID 25006955
N-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-3-methoxybenzamide
CID 59747981
2-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-4-(chloromethyl)benzamide
CID 68819765
acetic acid;1-butylimidazo[4,5-c]quinoline-4-carboxamide;2-(methylamino)acetic acid
CID 25007323

Frequently Asked Questions

What is the IUPAC name of 1-hexadecylimidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 1-hexadecylimidazo[4,5-c]quinolin-4-amine (CID 11418374) is 1-hexadecylimidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 1-hexadecylimidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 1-hexadecylimidazo[4,5-c]quinolin-4-amine is CCCCCCCCCCCCCCCCn1cnc2c(N)nc3ccccc3c21.
What is the InChIKey of 1-hexadecylimidazo[4,5-c]quinolin-4-amine?
The InChIKey is IQRQKYKEQPMBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-30-21-28-24-25(30)22-18-15-16-19-23(22)29-26(24)27/h15-16,18-19,21H,2-14,17,20H2,1H3,(H2,27,29).
What are the key properties of 1-hexadecylimidazo[4,5-c]quinolin-4-amine?
1-hexadecylimidazo[4,5-c]quinolin-4-amine has a molecular weight of 408.63 g/mol, XLogP of 7.65, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexadecylimidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 11418374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).