N-[3-[4-amino-2-(3-phenoxypropyl)imidazo[4,5-c]quinolin-1-yl]propyl]methanesulfonamide

C23H27N5O3S — CID 10411609

IUPACN-[3-[4-amino-2-(3-phenoxypropyl)imidazo[4,5-c]quinolin-1-yl]propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCn1c(CCCOc2ccccc2)nc2c(N)nc3ccccc3c21
InChIInChI=1S/C23H27N5O3S/c1-32(29,30)25-14-8-15-28-20(13-7-16-31-17-9-3-2-4-10-17)27-21-22(28)18-11-5-6-12-19(18)26-23(21)24/h2-6,9-12,25H,7-8,13-16H2,1H3,(H2,24,26)
InChIKeyOCGIGXADEWZZPL-UHFFFAOYSA-N
MW453.57 g/mol
LogP3.12
Rot. Bonds10

About N-[3-[4-amino-2-(3-phenoxypropyl)imidazo[4,5-c]quinolin-1-yl]propyl]methanesulfonamide

N-[3-[4-amino-2-(3-phenoxypropyl)imidazo[4,5-c]quinolin-1-yl]propyl]methanesulfonamide (PubChem CID 10411609) has the molecular formula C23H27N5O3S and a molecular weight of 453.57 g/mol. Its IUPAC name is N-[3-[4-amino-2-(3-phenoxypropyl)imidazo[4,5-c]quinolin-1-yl]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[4-amino-2-(3-phenoxypropyl)imidazo[4,5-c]quinolin-1-yl]propyl]methanesulfonamide
PubChem CID10411609
Molecular FormulaC23H27N5O3S
Molecular Weight453.57 g/mol
Exact Mass453.18
IUPAC NameN-[3-[4-amino-2-(3-phenoxypropyl)imidazo[4,5-c]quinolin-1-yl]propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCn1c(CCCOc2ccccc2)nc2c(N)nc3ccccc3c21
InChIInChI=1S/C23H27N5O3S/c1-32(29,30)25-14-8-15-28-20(13-7-16-31-17-9-3-2-4-10-17)27-21-22(28)18-11-5-6-12-19(18)26-23(21)24/h2-6,9-12,25H,7-8,13-16H2,1H3,(H2,24,26)
InChIKeyOCGIGXADEWZZPL-UHFFFAOYSA-N
XLogP3.12
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.57
LogP ≤ 53.12
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

N-[4-[4-amino-2-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-1-yl]butyl]methanesulfonamide
CID 22180893
1-(3-aminobutyl)-2-(3-phenoxypropyl)imidazo[4,5-c]quinolin-4-amine
CID 22344427
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
N-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-1-methoxymethanesulfonamide
CID 91001458
2-butyl-1-[4-(ethylaminooxy)butyl]imidazo[4,5-c]quinolin-4-amine;ethane
CID 143008375
N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-4-methylsulfonylbenzenesulfonamide
CID 20613699
2-[4-amino-1-[3-(methylamino)propyl]imidazo[4,5-c]quinolin-2-yl]ethanol
CID 143284618
N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl]benzamide
CID 23512725
2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine
CID 157447950
N-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]naphthalene-1-sulfonamide
CID 20713987
N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 20714058
N-[8-(4-aminoimidazo[4,5-c]quinolin-1-yl)octyl]methanesulfonamide
CID 10362916

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-amino-2-(3-phenoxypropyl)imidazo[4,5-c]quinolin-1-yl]propyl]methanesulfonamide?
The IUPAC name of N-[3-[4-amino-2-(3-phenoxypropyl)imidazo[4,5-c]quinolin-1-yl]propyl]methanesulfonamide (CID 10411609) is N-[3-[4-amino-2-(3-phenoxypropyl)imidazo[4,5-c]quinolin-1-yl]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[4-amino-2-(3-phenoxypropyl)imidazo[4,5-c]quinolin-1-yl]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[4-amino-2-(3-phenoxypropyl)imidazo[4,5-c]quinolin-1-yl]propyl]methanesulfonamide is CS(=O)(=O)NCCCn1c(CCCOc2ccccc2)nc2c(N)nc3ccccc3c21.
What is the InChIKey of N-[3-[4-amino-2-(3-phenoxypropyl)imidazo[4,5-c]quinolin-1-yl]propyl]methanesulfonamide?
The InChIKey is OCGIGXADEWZZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3S/c1-32(29,30)25-14-8-15-28-20(13-7-16-31-17-9-3-2-4-10-17)27-21-22(28)18-11-5-6-12-19(18)26-23(21)24/h2-6,9-12,25H,7-8,13-16H2,1H3,(H2,24,26).
What are the key properties of N-[3-[4-amino-2-(3-phenoxypropyl)imidazo[4,5-c]quinolin-1-yl]propyl]methanesulfonamide?
N-[3-[4-amino-2-(3-phenoxypropyl)imidazo[4,5-c]quinolin-1-yl]propyl]methanesulfonamide has a molecular weight of 453.57 g/mol, XLogP of 3.12, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-amino-2-(3-phenoxypropyl)imidazo[4,5-c]quinolin-1-yl]propyl]methanesulfonamide is sourced from PubChem (CID 10411609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).