N-[4-(4-amino-2-butyl-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl)butyl]-1-phenylmethanesulfonamide

C25H35N5O2S — CID 20713981

IUPACN-[4-(4-amino-2-butyl-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl)butyl]-1-phenylmethanesulfonamide
SMILESCCCCc1nc2c(N)nc3c(c2n1CCCCNS(=O)(=O)Cc1ccccc1)CCCC3
InChIInChI=1S/C25H35N5O2S/c1-2-3-15-22-29-23-24(20-13-7-8-14-21(20)28-25(23)26)30(22)17-10-9-16-27-33(31,32)18-19-11-5-4-6-12-19/h4-6,11-12,27H,2-3,7-10,13-18H2,1H3,(H2,26,28)
InChIKeyHOPQQFDJLLCGHI-UHFFFAOYSA-N
MW469.66 g/mol
LogP4.13
Rot. Bonds11

About N-[4-(4-amino-2-butyl-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl)butyl]-1-phenylmethanesulfonamide

N-[4-(4-amino-2-butyl-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl)butyl]-1-phenylmethanesulfonamide (PubChem CID 20713981) has the molecular formula C25H35N5O2S and a molecular weight of 469.66 g/mol. Its IUPAC name is N-[4-(4-amino-2-butyl-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl)butyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-(4-amino-2-butyl-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl)butyl]-1-phenylmethanesulfonamide
PubChem CID20713981
Molecular FormulaC25H35N5O2S
Molecular Weight469.66 g/mol
Exact Mass469.25
IUPAC NameN-[4-(4-amino-2-butyl-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl)butyl]-1-phenylmethanesulfonamide
SMILESCCCCc1nc2c(N)nc3c(c2n1CCCCNS(=O)(=O)Cc1ccccc1)CCCC3
InChIInChI=1S/C25H35N5O2S/c1-2-3-15-22-29-23-24(20-13-7-8-14-21(20)28-25(23)26)30(22)17-10-9-16-27-33(31,32)18-19-11-5-4-6-12-19/h4-6,11-12,27H,2-3,7-10,13-18H2,1H3,(H2,26,28)
InChIKeyHOPQQFDJLLCGHI-UHFFFAOYSA-N
XLogP4.13
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.66
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[4-(4-amino-2-butyl-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl)butyl]-1-phenylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(4-amino-2-butyl-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl)butyl]propane-2-sulfonamide
CID 20713982
1-[4-[4-amino-2-(2-methoxyethyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl]butyl]-3-phenylthiourea
CID 23497561
1-(4-amino-2-butyl-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol
CID 21470207
N-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-1-methoxymethanesulfonamide
CID 91001458
N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl]benzamide
CID 23512725
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-butylimidazo[4,5-c]quinolin-1-yl)butyl]-1-[(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonamide
CID 71190859
[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]methanol
CID 138457331
N-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]naphthalene-1-sulfonamide
CID 20713987
2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine
CID 157447950
1-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]-3-benzylurea
CID 18616841
4-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]-4-oxobutanoic acid
CID 135137543

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-amino-2-butyl-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl)butyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[4-(4-amino-2-butyl-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl)butyl]-1-phenylmethanesulfonamide (CID 20713981) is N-[4-(4-amino-2-butyl-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl)butyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[4-(4-amino-2-butyl-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl)butyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[4-(4-amino-2-butyl-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl)butyl]-1-phenylmethanesulfonamide is CCCCc1nc2c(N)nc3c(c2n1CCCCNS(=O)(=O)Cc1ccccc1)CCCC3.
What is the InChIKey of N-[4-(4-amino-2-butyl-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl)butyl]-1-phenylmethanesulfonamide?
The InChIKey is HOPQQFDJLLCGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O2S/c1-2-3-15-22-29-23-24(20-13-7-8-14-21(20)28-25(23)26)30(22)17-10-9-16-27-33(31,32)18-19-11-5-4-6-12-19/h4-6,11-12,27H,2-3,7-10,13-18H2,1H3,(H2,26,28).
What are the key properties of N-[4-(4-amino-2-butyl-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl)butyl]-1-phenylmethanesulfonamide?
N-[4-(4-amino-2-butyl-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl)butyl]-1-phenylmethanesulfonamide has a molecular weight of 469.66 g/mol, XLogP of 4.13, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-amino-2-butyl-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl)butyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 20713981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).