N-[2-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]ethanesulfonamide

C25H27N3O4S — CID 74539758

IUPACN-[2-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]ethanesulfonamide
SMILESCCc1ncc(Cc2ccc3cccc(NS(=O)(=O)CC)c3n2)c2cc(OC)c(OC)cc12
InChIInChI=1S/C25H27N3O4S/c1-5-21-20-14-24(32-4)23(31-3)13-19(20)17(15-26-21)12-18-11-10-16-8-7-9-22(25(16)27-18)28-33(29,30)6-2/h7-11,13-15,28H,5-6,12H2,1-4H3
InChIKeyHSWNXHNMEYYLSG-UHFFFAOYSA-N
MW465.58 g/mol
LogP4.72
Rot. Bonds8

About N-[2-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]ethanesulfonamide

N-[2-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]ethanesulfonamide (PubChem CID 74539758) has the molecular formula C25H27N3O4S and a molecular weight of 465.58 g/mol. Its IUPAC name is N-[2-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]ethanesulfonamide
PubChem CID74539758
Molecular FormulaC25H27N3O4S
Molecular Weight465.58 g/mol
Exact Mass465.17
IUPAC NameN-[2-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]ethanesulfonamide
SMILESCCc1ncc(Cc2ccc3cccc(NS(=O)(=O)CC)c3n2)c2cc(OC)c(OC)cc12
InChIInChI=1S/C25H27N3O4S/c1-5-21-20-14-24(32-4)23(31-3)13-19(20)17(15-26-21)12-18-11-10-16-8-7-9-22(25(16)27-18)28-33(29,30)6-2/h7-11,13-15,28H,5-6,12H2,1-4H3
InChIKeyHSWNXHNMEYYLSG-UHFFFAOYSA-N
XLogP4.72
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]ethanesulfonamide with MolForge

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Related Compounds

Coralyne chloride
CID 23306
N-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]benzenesulfonamide
CID 25128110
Coralyne
CID 23307
ST037656
CID 276146
Papaveraldylamine
CID 38370
Dibenzo(a,g)quinolizinium, 2,3,10,11-tetramethoxy-8-methyl-, 2-sulfoacetate (1:1)
CID 38198
N-{2-[(6,7-dimethoxy-1-isoquinolinyl)methyl]-4,5-dimethoxyphenyl}ethanesulfonamide
CID 1253389
N-(6-methoxyquinolin-8-yl)naphthalene-2-sulfonamide
CID 1327568
9-methoxy-5H-6-thia-4,5-diaza-chrysene 6,6-dioxide
CID 16759954
8-[4-(1,1-Dioxo-1lambda*6*-thiomorpholin-4-ylmethyl)-phenyl]-2-(3,4,5-trimethoxy-phenyl)-quinoxaline
CID 25123806
4-methoxy-N-(5-pyridin-3-ylquinolin-8-yl)benzenesulfonamide
CID 118873471
Coralyne chloride hydrate
CID 6419900

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]ethanesulfonamide?
The IUPAC name of N-[2-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]ethanesulfonamide (CID 74539758) is N-[2-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]ethanesulfonamide.
What is the SMILES notation for N-[2-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]ethanesulfonamide?
The canonical SMILES for N-[2-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]ethanesulfonamide is CCc1ncc(Cc2ccc3cccc(NS(=O)(=O)CC)c3n2)c2cc(OC)c(OC)cc12.
What is the InChIKey of N-[2-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]ethanesulfonamide?
The InChIKey is HSWNXHNMEYYLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4S/c1-5-21-20-14-24(32-4)23(31-3)13-19(20)17(15-26-21)12-18-11-10-16-8-7-9-22(25(16)27-18)28-33(29,30)6-2/h7-11,13-15,28H,5-6,12H2,1-4H3.
What are the key properties of N-[2-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]ethanesulfonamide?
N-[2-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]ethanesulfonamide has a molecular weight of 465.58 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]ethanesulfonamide is sourced from PubChem (CID 74539758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).