5-amino-1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]cyclohexa-2,4-diene-1-sulfonamide

C24H32N6O2S — CID 151301445

IUPAC5-amino-1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]cyclohexa-2,4-diene-1-sulfonamide
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1CCCCC1(S(N)(=O)=O)C=CC=C(N)C1
InChIInChI=1S/C24H32N6O2S/c1-2-3-12-20-29-21-22(18-10-4-5-11-19(18)28-23(21)26)30(20)15-7-6-13-24(33(27,31)32)14-8-9-17(25)16-24/h4-5,8-11,14H,2-3,6-7,12-13,15-16,25H2,1H3,(H2,26,28)(H2,27,31,32)
InChIKeyOCMVFKOJOXGJGQ-UHFFFAOYSA-N
MW468.63 g/mol
LogP3.51
Rot. Bonds9

About 5-amino-1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]cyclohexa-2,4-diene-1-sulfonamide

5-amino-1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]cyclohexa-2,4-diene-1-sulfonamide (PubChem CID 151301445) has the molecular formula C24H32N6O2S and a molecular weight of 468.63 g/mol. Its IUPAC name is 5-amino-1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]cyclohexa-2,4-diene-1-sulfonamide.

Molecular Properties

Compound Name5-amino-1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]cyclohexa-2,4-diene-1-sulfonamide
PubChem CID151301445
Molecular FormulaC24H32N6O2S
Molecular Weight468.63 g/mol
Exact Mass468.23
IUPAC Name5-amino-1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]cyclohexa-2,4-diene-1-sulfonamide
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1CCCCC1(S(N)(=O)=O)C=CC=C(N)C1
InChIInChI=1S/C24H32N6O2S/c1-2-3-12-20-29-21-22(18-10-4-5-11-19(18)28-23(21)26)30(20)15-7-6-13-24(33(27,31)32)14-8-9-17(25)16-24/h4-5,8-11,14H,2-3,6-7,12-13,15-16,25H2,1H3,(H2,26,28)(H2,27,31,32)
InChIKeyOCMVFKOJOXGJGQ-UHFFFAOYSA-N
XLogP3.51
TPSA142.91 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.63
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine
CID 157447950
2-butyl-1-[4-(ethylaminooxy)butyl]imidazo[4,5-c]quinolin-4-amine;ethane
CID 143008375
N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl]benzamide
CID 23512725
[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]methanol
CID 138457331
3-amino-2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]benzenesulfonamide
CID 68799279
N-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]-N-methylmethanesulfonamide
CID 70976292
4-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]-4-oxobutanoic acid
CID 135137543
7-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-1-aminooxyheptan-2-one
CID 165105323
N-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-1-methoxymethanesulfonamide
CID 91001458
1-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]-3-benzylurea
CID 18616841
3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]benzenesulfonamide;hydrochloride
CID 22491707
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

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]cyclohexa-2,4-diene-1-sulfonamide?
The IUPAC name of 5-amino-1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]cyclohexa-2,4-diene-1-sulfonamide (CID 151301445) is 5-amino-1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]cyclohexa-2,4-diene-1-sulfonamide.
What is the SMILES notation for 5-amino-1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]cyclohexa-2,4-diene-1-sulfonamide?
The canonical SMILES for 5-amino-1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]cyclohexa-2,4-diene-1-sulfonamide is CCCCc1nc2c(N)nc3ccccc3c2n1CCCCC1(S(N)(=O)=O)C=CC=C(N)C1.
What is the InChIKey of 5-amino-1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]cyclohexa-2,4-diene-1-sulfonamide?
The InChIKey is OCMVFKOJOXGJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O2S/c1-2-3-12-20-29-21-22(18-10-4-5-11-19(18)28-23(21)26)30(20)15-7-6-13-24(33(27,31)32)14-8-9-17(25)16-24/h4-5,8-11,14H,2-3,6-7,12-13,15-16,25H2,1H3,(H2,26,28)(H2,27,31,32).
What are the key properties of 5-amino-1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]cyclohexa-2,4-diene-1-sulfonamide?
5-amino-1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]cyclohexa-2,4-diene-1-sulfonamide has a molecular weight of 468.63 g/mol, XLogP of 3.51, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]cyclohexa-2,4-diene-1-sulfonamide is sourced from PubChem (CID 151301445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).