N-[1-[(4-aminoimidazo[4,5-c]quinolin-1-yl)methyl]cyclobutyl]methanesulfonamide

C16H19N5O2S — CID 140857010

IUPACN-[1-[(4-aminoimidazo[4,5-c]quinolin-1-yl)methyl]cyclobutyl]methanesulfonamide
SMILESCS(=O)(=O)NC1(Cn2cnc3c(N)nc4ccccc4c32)CCC1
InChIInChI=1S/C16H19N5O2S/c1-24(22,23)20-16(7-4-8-16)9-21-10-18-13-14(21)11-5-2-3-6-12(11)19-15(13)17/h2-3,5-6,10,20H,4,7-9H2,1H3,(H2,17,19)
InChIKeyBKTHFFQKSKHAOD-UHFFFAOYSA-N
MW345.43 g/mol
LogP1.64
Rot. Bonds4

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

N-[1-[(4-aminoimidazo[4,5-c]quinolin-1-yl)methyl]cyclobutyl]methanesulfonamide (PubChem CID 140857010) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is N-[1-[(4-aminoimidazo[4,5-c]quinolin-1-yl)methyl]cyclobutyl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(4-aminoimidazo[4,5-c]quinolin-1-yl)methyl]cyclobutyl]methanesulfonamide
PubChem CID140857010
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC NameN-[1-[(4-aminoimidazo[4,5-c]quinolin-1-yl)methyl]cyclobutyl]methanesulfonamide
SMILESCS(=O)(=O)NC1(Cn2cnc3c(N)nc4ccccc4c32)CCC1
InChIInChI=1S/C16H19N5O2S/c1-24(22,23)20-16(7-4-8-16)9-21-10-18-13-14(21)11-5-2-3-6-12(11)19-15(13)17/h2-3,5-6,10,20H,4,7-9H2,1H3,(H2,17,19)
InChIKeyBKTHFFQKSKHAOD-UHFFFAOYSA-N
XLogP1.64
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-aminoimidazo[4,5-c]quinolin-1-yl)methyl]cyclobutyl]methanesulfonamide?
The IUPAC name of N-[1-[(4-aminoimidazo[4,5-c]quinolin-1-yl)methyl]cyclobutyl]methanesulfonamide (CID 140857010) is N-[1-[(4-aminoimidazo[4,5-c]quinolin-1-yl)methyl]cyclobutyl]methanesulfonamide.
What is the SMILES notation for N-[1-[(4-aminoimidazo[4,5-c]quinolin-1-yl)methyl]cyclobutyl]methanesulfonamide?
The canonical SMILES for N-[1-[(4-aminoimidazo[4,5-c]quinolin-1-yl)methyl]cyclobutyl]methanesulfonamide is CS(=O)(=O)NC1(Cn2cnc3c(N)nc4ccccc4c32)CCC1.
What is the InChIKey of N-[1-[(4-aminoimidazo[4,5-c]quinolin-1-yl)methyl]cyclobutyl]methanesulfonamide?
The InChIKey is BKTHFFQKSKHAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-24(22,23)20-16(7-4-8-16)9-21-10-18-13-14(21)11-5-2-3-6-12(11)19-15(13)17/h2-3,5-6,10,20H,4,7-9H2,1H3,(H2,17,19).
What are the key properties of N-[1-[(4-aminoimidazo[4,5-c]quinolin-1-yl)methyl]cyclobutyl]methanesulfonamide?
N-[1-[(4-aminoimidazo[4,5-c]quinolin-1-yl)methyl]cyclobutyl]methanesulfonamide has a molecular weight of 345.43 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-aminoimidazo[4,5-c]quinolin-1-yl)methyl]cyclobutyl]methanesulfonamide is sourced from PubChem (CID 140857010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).