N-(4-isoquinolin-4-yl-3-methoxyphenyl)quinoline-8-sulfonamide

C25H19N3O3S — CID 56652996

IUPACN-(4-isoquinolin-4-yl-3-methoxyphenyl)quinoline-8-sulfonamide
SMILESCOc1cc(NS(=O)(=O)c2cccc3cccnc23)ccc1-c1cncc2ccccc12
InChIInChI=1S/C25H19N3O3S/c1-31-23-14-19(11-12-21(23)22-16-26-15-18-6-2-3-9-20(18)22)28-32(29,30)24-10-4-7-17-8-5-13-27-25(17)24/h2-16,28H,1H3
InChIKeyLIDNZZWHHQMRIP-UHFFFAOYSA-N
MW441.51 g/mol
LogP5.26
Rot. Bonds5

About N-(4-isoquinolin-4-yl-3-methoxyphenyl)quinoline-8-sulfonamide

N-(4-isoquinolin-4-yl-3-methoxyphenyl)quinoline-8-sulfonamide (PubChem CID 56652996) has the molecular formula C25H19N3O3S and a molecular weight of 441.51 g/mol. Its IUPAC name is N-(4-isoquinolin-4-yl-3-methoxyphenyl)quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-(4-isoquinolin-4-yl-3-methoxyphenyl)quinoline-8-sulfonamide
PubChem CID56652996
Molecular FormulaC25H19N3O3S
Molecular Weight441.51 g/mol
Exact Mass441.11
IUPAC NameN-(4-isoquinolin-4-yl-3-methoxyphenyl)quinoline-8-sulfonamide
SMILESCOc1cc(NS(=O)(=O)c2cccc3cccnc23)ccc1-c1cncc2ccccc12
InChIInChI=1S/C25H19N3O3S/c1-31-23-14-19(11-12-21(23)22-16-26-15-18-6-2-3-9-20(18)22)28-32(29,30)24-10-4-7-17-8-5-13-27-25(17)24/h2-16,28H,1H3
InChIKeyLIDNZZWHHQMRIP-UHFFFAOYSA-N
XLogP5.26
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.51
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-isoquinolin-4-yl-3-methoxyphenyl)pyridine-2-sulfonamide
CID 56654728
2-methoxy-4-(quinolin-8-ylsulfonylamino)benzoic acid
CID 118468092
N-(2,3-dimethoxyphenyl)quinoline-8-sulfonamide
CID 3866922
N-[4-(3-hydroxyazetidine-1-carbonyl)-3-methoxyphenyl]quinoline-8-sulfonamide
CID 57383048
8-methoxy-N-(4-methoxyphenyl)quinoline-5-sulfonamide
CID 729403
2-isoquinolin-5-yl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide
CID 67700505
N-[4-bromo-2-(2-isoquinolin-4-ylethynyl)phenyl]-5-methoxyquinoline-8-sulfonamide
CID 175843235
N-[4-[4-(4-methoxy-3-pyridinyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 67505232
N-(4-bromophenyl)quinoline-8-sulfonamide
CID 3423367
N-(3-methyl-4-propan-2-ylphenyl)quinoline-8-sulfonamide
CID 5095146
N-[4-(quinolin-8-ylsulfonylamino)phenyl]acetamide
CID 2443922
methyl 2-methyl-5-(quinolin-8-ylsulfonylamino)-1-benzofuran-3-carboxylate
CID 7339253

Frequently Asked Questions

What is the IUPAC name of N-(4-isoquinolin-4-yl-3-methoxyphenyl)quinoline-8-sulfonamide?
The IUPAC name of N-(4-isoquinolin-4-yl-3-methoxyphenyl)quinoline-8-sulfonamide (CID 56652996) is N-(4-isoquinolin-4-yl-3-methoxyphenyl)quinoline-8-sulfonamide.
What is the SMILES notation for N-(4-isoquinolin-4-yl-3-methoxyphenyl)quinoline-8-sulfonamide?
The canonical SMILES for N-(4-isoquinolin-4-yl-3-methoxyphenyl)quinoline-8-sulfonamide is COc1cc(NS(=O)(=O)c2cccc3cccnc23)ccc1-c1cncc2ccccc12.
What is the InChIKey of N-(4-isoquinolin-4-yl-3-methoxyphenyl)quinoline-8-sulfonamide?
The InChIKey is LIDNZZWHHQMRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O3S/c1-31-23-14-19(11-12-21(23)22-16-26-15-18-6-2-3-9-20(18)22)28-32(29,30)24-10-4-7-17-8-5-13-27-25(17)24/h2-16,28H,1H3.
What are the key properties of N-(4-isoquinolin-4-yl-3-methoxyphenyl)quinoline-8-sulfonamide?
N-(4-isoquinolin-4-yl-3-methoxyphenyl)quinoline-8-sulfonamide has a molecular weight of 441.51 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-isoquinolin-4-yl-3-methoxyphenyl)quinoline-8-sulfonamide is sourced from PubChem (CID 56652996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).