N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-1,8a-dihydronaphthalene-1-sulfonamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]benzenesulfonamide

C52H62N10O4S2 — CID 157407783

IUPACN-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-1,8a-dihydronaphthalene-1-sulfonamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]benzenesulfonamide
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1CCCCNS(=O)(=O)C1C=CC=C2C=CC=CC21.CCCCc1nc2c(N)nc3ccccc3c2n1CCCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C28H33N5O2S.C24H29N5O2S/c1-2-3-17-25-32-26-27(22-14-6-7-15-23(22)31-28(26)29)33(25)19-9-8-18-30-36(34,35)24-16-10-12-20-11-4-5-13-21(20)24;1-2-3-15-21-28-22-23(19-13-7-8-14-20(19)27-24(22)25)29(21)17-10-9-16-26-32(30,31)18-11-5-4-6-12-18/h4-7,10-16,21,24,30H,2-3,8-9,17-19H2,1H3,(H2,29,31);4-8,11-14,26H,2-3,9-10,15-17H2,1H3,(H2,25,27)
InChIKeyBNXSPDQRHSTWOS-UHFFFAOYSA-N
MW955.27 g/mol
LogP9.08
Rot. Bonds20

About N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-1,8a-dihydronaphthalene-1-sulfonamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]benzenesulfonamide

N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-1,8a-dihydronaphthalene-1-sulfonamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]benzenesulfonamide (PubChem CID 157407783) has the molecular formula C52H62N10O4S2 and a molecular weight of 955.27 g/mol. Its IUPAC name is N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-1,8a-dihydronaphthalene-1-sulfonamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-1,8a-dihydronaphthalene-1-sulfonamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]benzenesulfonamide
PubChem CID157407783
Molecular FormulaC52H62N10O4S2
Molecular Weight955.27 g/mol
Exact Mass954.44
IUPAC NameN-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-1,8a-dihydronaphthalene-1-sulfonamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]benzenesulfonamide
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1CCCCNS(=O)(=O)C1C=CC=C2C=CC=CC21.CCCCc1nc2c(N)nc3ccccc3c2n1CCCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C28H33N5O2S.C24H29N5O2S/c1-2-3-17-25-32-26-27(22-14-6-7-15-23(22)31-28(26)29)33(25)19-9-8-18-30-36(34,35)24-16-10-12-20-11-4-5-13-21(20)24;1-2-3-15-21-28-22-23(19-13-7-8-14-20(19)27-24(22)25)29(21)17-10-9-16-26-32(30,31)18-11-5-4-6-12-18/h4-7,10-16,21,24,30H,2-3,8-9,17-19H2,1H3,(H2,29,31);4-8,11-14,26H,2-3,9-10,15-17H2,1H3,(H2,25,27)
InChIKeyBNXSPDQRHSTWOS-UHFFFAOYSA-N
XLogP9.08
TPSA205.80 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500955.27
LogP ≤ 59.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-1,8a-dihydronaphthalene-1-sulfonamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]benzenesulfonamide with MolForge

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Related Compounds

N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]benzenesulfonamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-5-bromo-2-methoxybenzenesulfonamide
CID 161181757
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-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-4-methylsulfonylbenzenesulfonamide
CID 20613699
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
N-[4-[4-amino-2-(2-hydroxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-4-fluorobenzenesulfonamide
CID 11856928
[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]methanol
CID 138457331
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-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl]benzamide
CID 23512725
3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]benzenesulfonamide;hydrochloride
CID 22491707
N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]benzenesulfonamide;N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3,4-dimethoxybenzenesulfonamide
CID 158474542

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-1,8a-dihydronaphthalene-1-sulfonamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]benzenesulfonamide?
The IUPAC name of N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-1,8a-dihydronaphthalene-1-sulfonamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]benzenesulfonamide (CID 157407783) is N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-1,8a-dihydronaphthalene-1-sulfonamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]benzenesulfonamide.
What is the SMILES notation for N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-1,8a-dihydronaphthalene-1-sulfonamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]benzenesulfonamide?
The canonical SMILES for N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-1,8a-dihydronaphthalene-1-sulfonamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]benzenesulfonamide is CCCCc1nc2c(N)nc3ccccc3c2n1CCCCNS(=O)(=O)C1C=CC=C2C=CC=CC21.CCCCc1nc2c(N)nc3ccccc3c2n1CCCCNS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-1,8a-dihydronaphthalene-1-sulfonamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]benzenesulfonamide?
The InChIKey is BNXSPDQRHSTWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O2S.C24H29N5O2S/c1-2-3-17-25-32-26-27(22-14-6-7-15-23(22)31-28(26)29)33(25)19-9-8-18-30-36(34,35)24-16-10-12-20-11-4-5-13-21(20)24;1-2-3-15-21-28-22-23(19-13-7-8-14-20(19)27-24(22)25)29(21)17-10-9-16-26-32(30,31)18-11-5-4-6-12-18/h4-7,10-16,21,24,30H,2-3,8-9,17-19H2,1H3,(H2,29,31);4-8,11-14,26H,2-3,9-10,15-17H2,1H3,(H2,25,27).
What are the key properties of N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-1,8a-dihydronaphthalene-1-sulfonamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]benzenesulfonamide?
N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-1,8a-dihydronaphthalene-1-sulfonamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]benzenesulfonamide has a molecular weight of 955.27 g/mol, XLogP of 9.08, 20 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-1,8a-dihydronaphthalene-1-sulfonamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]benzenesulfonamide is sourced from PubChem (CID 157407783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).