N-[3-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-6-yl]methanesulfonamide

C24H25N3O4S — CID 74539694

IUPACN-[3-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-6-yl]methanesulfonamide
SMILESCCc1ncc(Cc2cnc3ccc(NS(C)(=O)=O)cc3c2)c2cc(OC)c(OC)cc12
InChIInChI=1S/C24H25N3O4S/c1-5-21-20-12-24(31-3)23(30-2)11-19(20)17(14-26-21)9-15-8-16-10-18(27-32(4,28)29)6-7-22(16)25-13-15/h6-8,10-14,27H,5,9H2,1-4H3
InChIKeyXIOWYLDJFHQGTR-UHFFFAOYSA-N
MW451.55 g/mol
LogP4.32
Rot. Bonds7

About N-[3-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-6-yl]methanesulfonamide

N-[3-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-6-yl]methanesulfonamide (PubChem CID 74539694) has the molecular formula C24H25N3O4S and a molecular weight of 451.55 g/mol. Its IUPAC name is N-[3-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-6-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-6-yl]methanesulfonamide
PubChem CID74539694
Molecular FormulaC24H25N3O4S
Molecular Weight451.55 g/mol
Exact Mass451.16
IUPAC NameN-[3-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-6-yl]methanesulfonamide
SMILESCCc1ncc(Cc2cnc3ccc(NS(C)(=O)=O)cc3c2)c2cc(OC)c(OC)cc12
InChIInChI=1S/C24H25N3O4S/c1-5-21-20-12-24(31-3)23(30-2)11-19(20)17(14-26-21)9-15-8-16-10-18(27-32(4,28)29)6-7-22(16)25-13-15/h6-8,10-14,27H,5,9H2,1-4H3
InChIKeyXIOWYLDJFHQGTR-UHFFFAOYSA-N
XLogP4.32
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-6-yl]methanesulfonamide with MolForge

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Related Compounds

1-ethyl-6,7-dimethoxy-4-(quinolin-3-ylmethyl)isoquinoline
CID 74539265
1-ethyl-6,7-dimethoxy-4-[[6-(trifluoromethylsulfanyloxy)quinolin-3-yl]methyl]isoquinoline
CID 144620267
2-[3-[(6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-6-yl]oxyacetic acid
CID 90117699
N-benzyl-3-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]-6-methoxyquinolin-2-amine
CID 141346176
4-[(2-azido-6-methoxyquinolin-3-yl)methyl]-1-ethyl-6,7-dimethoxyisoquinoline
CID 150297354
6-ethoxy-7-methoxy-4-(quinolin-3-ylmethyl)isoquinoline;methane
CID 159414257
N-(5-formyl-6-methoxynaphthalen-2-yl)methanesulfonamide
CID 130392131
N-[4-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-diethoxyphenyl]phenyl]methanesulfonamide
CID 22637026
N-[4-(aminomethyl)-3-methoxyphenyl]methanesulfonamide
CID 21097532
2-[3-[(6,7-dimethoxy-1-propylisoquinolin-4-yl)methyl]-6-methoxyquinolin-2-yl]oxyacetonitrile;dihydrochloride
CID 74539193
N-(2-ethyl-1-benzothiophen-5-yl)methanesulfonamide
CID 19754290
[3-[(2,5-dimethoxyphenyl)sulfonylmethyl]quinolin-6-yl]methyl methanesulfonate
CID 157350617

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-6-yl]methanesulfonamide?
The IUPAC name of N-[3-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-6-yl]methanesulfonamide (CID 74539694) is N-[3-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-6-yl]methanesulfonamide.
What is the SMILES notation for N-[3-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-6-yl]methanesulfonamide?
The canonical SMILES for N-[3-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-6-yl]methanesulfonamide is CCc1ncc(Cc2cnc3ccc(NS(C)(=O)=O)cc3c2)c2cc(OC)c(OC)cc12.
What is the InChIKey of N-[3-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-6-yl]methanesulfonamide?
The InChIKey is XIOWYLDJFHQGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4S/c1-5-21-20-12-24(31-3)23(30-2)11-19(20)17(14-26-21)9-15-8-16-10-18(27-32(4,28)29)6-7-22(16)25-13-15/h6-8,10-14,27H,5,9H2,1-4H3.
What are the key properties of N-[3-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-6-yl]methanesulfonamide?
N-[3-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-6-yl]methanesulfonamide has a molecular weight of 451.55 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-6-yl]methanesulfonamide is sourced from PubChem (CID 74539694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).