N-[8-(4-aminoimidazo[4,5-c]quinolin-1-yl)octyl]methanesulfonamide

C19H27N5O2S — CID 10362916

IUPACN-[8-(4-aminoimidazo[4,5-c]quinolin-1-yl)octyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCCCCCCn1cnc2c(N)nc3ccccc3c21
InChIInChI=1S/C19H27N5O2S/c1-27(25,26)22-12-8-4-2-3-5-9-13-24-14-21-17-18(24)15-10-6-7-11-16(15)23-19(17)20/h6-7,10-11,14,22H,2-5,8-9,12-13H2,1H3,(H2,20,23)
InChIKeyOEWIOBQTRKZSJO-UHFFFAOYSA-N
MW389.53 g/mol
LogP3.06
Rot. Bonds10

About N-[8-(4-aminoimidazo[4,5-c]quinolin-1-yl)octyl]methanesulfonamide

N-[8-(4-aminoimidazo[4,5-c]quinolin-1-yl)octyl]methanesulfonamide (PubChem CID 10362916) has the molecular formula C19H27N5O2S and a molecular weight of 389.53 g/mol. Its IUPAC name is N-[8-(4-aminoimidazo[4,5-c]quinolin-1-yl)octyl]methanesulfonamide.

Molecular Properties

Compound NameN-[8-(4-aminoimidazo[4,5-c]quinolin-1-yl)octyl]methanesulfonamide
PubChem CID10362916
Molecular FormulaC19H27N5O2S
Molecular Weight389.53 g/mol
Exact Mass389.19
IUPAC NameN-[8-(4-aminoimidazo[4,5-c]quinolin-1-yl)octyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCCCCCCn1cnc2c(N)nc3ccccc3c21
InChIInChI=1S/C19H27N5O2S/c1-27(25,26)22-12-8-4-2-3-5-9-13-24-14-21-17-18(24)15-10-6-7-11-16(15)23-19(17)20/h6-7,10-11,14,22H,2-5,8-9,12-13H2,1H3,(H2,20,23)
InChIKeyOEWIOBQTRKZSJO-UHFFFAOYSA-N
XLogP3.06
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.53
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[8-(4-aminoimidazo[4,5-c]quinolin-1-yl)octyl]methanesulfonamide?
The IUPAC name of N-[8-(4-aminoimidazo[4,5-c]quinolin-1-yl)octyl]methanesulfonamide (CID 10362916) is N-[8-(4-aminoimidazo[4,5-c]quinolin-1-yl)octyl]methanesulfonamide.
What is the SMILES notation for N-[8-(4-aminoimidazo[4,5-c]quinolin-1-yl)octyl]methanesulfonamide?
The canonical SMILES for N-[8-(4-aminoimidazo[4,5-c]quinolin-1-yl)octyl]methanesulfonamide is CS(=O)(=O)NCCCCCCCCn1cnc2c(N)nc3ccccc3c21.
What is the InChIKey of N-[8-(4-aminoimidazo[4,5-c]quinolin-1-yl)octyl]methanesulfonamide?
The InChIKey is OEWIOBQTRKZSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2S/c1-27(25,26)22-12-8-4-2-3-5-9-13-24-14-21-17-18(24)15-10-6-7-11-16(15)23-19(17)20/h6-7,10-11,14,22H,2-5,8-9,12-13H2,1H3,(H2,20,23).
What are the key properties of N-[8-(4-aminoimidazo[4,5-c]quinolin-1-yl)octyl]methanesulfonamide?
N-[8-(4-aminoimidazo[4,5-c]quinolin-1-yl)octyl]methanesulfonamide has a molecular weight of 389.53 g/mol, XLogP of 3.06, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(4-aminoimidazo[4,5-c]quinolin-1-yl)octyl]methanesulfonamide is sourced from PubChem (CID 10362916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).