N-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-1-methoxymethanesulfonamide

C19H27N5O3S — CID 91001458

IUPACN-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-1-methoxymethanesulfonamide
SMILESCCCc1nc2c(N)nc3ccccc3c2n1CCCCNS(=O)(=O)COC
InChIInChI=1S/C19H27N5O3S/c1-3-8-16-23-17-18(14-9-4-5-10-15(14)22-19(17)20)24(16)12-7-6-11-21-28(25,26)13-27-2/h4-5,9-10,21H,3,6-8,11-13H2,1-2H3,(H2,20,22)
InChIKeyDOSCIONFPSRSSE-UHFFFAOYSA-N
MW405.52 g/mol
LogP2.42
Rot. Bonds10

About N-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-1-methoxymethanesulfonamide

N-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-1-methoxymethanesulfonamide (PubChem CID 91001458) has the molecular formula C19H27N5O3S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-1-methoxymethanesulfonamide.

Molecular Properties

Compound NameN-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-1-methoxymethanesulfonamide
PubChem CID91001458
Molecular FormulaC19H27N5O3S
Molecular Weight405.52 g/mol
Exact Mass405.18
IUPAC NameN-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-1-methoxymethanesulfonamide
SMILESCCCc1nc2c(N)nc3ccccc3c2n1CCCCNS(=O)(=O)COC
InChIInChI=1S/C19H27N5O3S/c1-3-8-16-23-17-18(14-9-4-5-10-15(14)22-19(17)20)24(16)12-7-6-11-21-28(25,26)13-27-2/h4-5,9-10,21H,3,6-8,11-13H2,1-2H3,(H2,20,22)
InChIKeyDOSCIONFPSRSSE-UHFFFAOYSA-N
XLogP2.42
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butanoic acid
CID 141281240
1-(4-chlorobutyl)-2-propylimidazo[4,5-c]quinolin-4-amine
CID 22320471
2-butyl-1-[4-(ethylaminooxy)butyl]imidazo[4,5-c]quinolin-4-amine;ethane
CID 143008375
N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 20714058
1-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-1-methoxyurea
CID 58869094
N-[3-[4-amino-2-(3-phenoxypropyl)imidazo[4,5-c]quinolin-1-yl]propyl]methanesulfonamide
CID 10411609
N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-2,6-difluorobenzenesulfonamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]methanesulfonamide
CID 160694543
[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]methanol
CID 138457331
2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine
CID 157447950
N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-6-sulfanylidenecyclohexa-1,3-diene-1-sulfonamide
CID 87579353
N-[4-[4-amino-2-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-1-yl]butyl]methanesulfonamide
CID 22180893
2-[4-amino-1-[4-(methylamino)butyl]imidazo[4,5-c]quinolin-2-yl]ethanol
CID 142032833

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-1-methoxymethanesulfonamide?
The IUPAC name of N-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-1-methoxymethanesulfonamide (CID 91001458) is N-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-1-methoxymethanesulfonamide.
What is the SMILES notation for N-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-1-methoxymethanesulfonamide?
The canonical SMILES for N-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-1-methoxymethanesulfonamide is CCCc1nc2c(N)nc3ccccc3c2n1CCCCNS(=O)(=O)COC.
What is the InChIKey of N-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-1-methoxymethanesulfonamide?
The InChIKey is DOSCIONFPSRSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3S/c1-3-8-16-23-17-18(14-9-4-5-10-15(14)22-19(17)20)24(16)12-7-6-11-21-28(25,26)13-27-2/h4-5,9-10,21H,3,6-8,11-13H2,1-2H3,(H2,20,22).
What are the key properties of N-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-1-methoxymethanesulfonamide?
N-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-1-methoxymethanesulfonamide has a molecular weight of 405.52 g/mol, XLogP of 2.42, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-1-methoxymethanesulfonamide is sourced from PubChem (CID 91001458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).