N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]naphthalene-2-sulfonamide

C24H23N5O3S — CID 20613684

IUPACN-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]naphthalene-2-sulfonamide
SMILESNc1nc2ccccc2c2c1ncn2CCOCCNS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C24H23N5O3S/c25-24-22-23(20-7-3-4-8-21(20)28-24)29(16-26-22)12-14-32-13-11-27-33(30,31)19-10-9-17-5-1-2-6-18(17)15-19/h1-10,15-16,27H,11-14H2,(H2,25,28)
InChIKeyKYKRTOQIZCBESS-UHFFFAOYSA-N
MW461.55 g/mol
LogP3.32
Rot. Bonds8

About N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]naphthalene-2-sulfonamide

N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]naphthalene-2-sulfonamide (PubChem CID 20613684) has the molecular formula C24H23N5O3S and a molecular weight of 461.55 g/mol. Its IUPAC name is N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]naphthalene-2-sulfonamide
PubChem CID20613684
Molecular FormulaC24H23N5O3S
Molecular Weight461.55 g/mol
Exact Mass461.15
IUPAC NameN-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]naphthalene-2-sulfonamide
SMILESNc1nc2ccccc2c2c1ncn2CCOCCNS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C24H23N5O3S/c25-24-22-23(20-7-3-4-8-21(20)28-24)29(16-26-22)12-14-32-13-11-27-33(30,31)19-10-9-17-5-1-2-6-18(17)15-19/h1-10,15-16,27H,11-14H2,(H2,25,28)
InChIKeyKYKRTOQIZCBESS-UHFFFAOYSA-N
XLogP3.32
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.55
LogP ≤ 53.32
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-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 20613683
N-[8-(4-aminoimidazo[4,5-c]quinolin-1-yl)octyl]methanesulfonamide
CID 10362916
N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-4-methylsulfonylbenzenesulfonamide
CID 20613699
1-(3-aminopropyl)imidazo[4,5-c]quinolin-4-amine
CID 18783973
N-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-2-phenoxypropanamide
CID 23512668
N-[2-(naphthalen-2-ylsulfonylamino)ethyl]naphthalene-2-sulfonamide
CID 30170513
1-hexadecylimidazo[4,5-c]quinolin-4-amine
CID 11418374
(2,2,2-trifluoroacetyl) 2-[3-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]propyl]benzoate
CID 87940857
N-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-3-methoxybenzamide
CID 59747981
1-[2-methyl-2-(2-methylsulfonylethoxy)propyl]imidazo[4,5-c]quinolin-4-amine
CID 58917318
1-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-3-(4-phenoxyphenyl)urea
CID 22985743
2-(naphthalen-2-ylsulfonylamino)ethyl benzoate
CID 174429749

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]naphthalene-2-sulfonamide (CID 20613684) is N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]naphthalene-2-sulfonamide is Nc1nc2ccccc2c2c1ncn2CCOCCNS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]naphthalene-2-sulfonamide?
The InChIKey is KYKRTOQIZCBESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3S/c25-24-22-23(20-7-3-4-8-21(20)28-24)29(16-26-22)12-14-32-13-11-27-33(30,31)19-10-9-17-5-1-2-6-18(17)15-19/h1-10,15-16,27H,11-14H2,(H2,25,28).
What are the key properties of N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]naphthalene-2-sulfonamide?
N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]naphthalene-2-sulfonamide has a molecular weight of 461.55 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 20613684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).