6,7-dimethoxy-1-(methoxymethyl)-4-[[8-(sulfamoylamino)quinolin-2-yl]methyl]isoquinoline

C23H24N4O5S — CID 91801201

IUPAC6,7-dimethoxy-1-(methoxymethyl)-4-[[8-(sulfamoylamino)quinolin-2-yl]methyl]isoquinoline
SMILESCOCc1ncc(Cc2ccc3cccc(NS(N)(=O)=O)c3n2)c2cc(OC)c(OC)cc12
InChIInChI=1S/C23H24N4O5S/c1-30-13-20-18-11-22(32-3)21(31-2)10-17(18)15(12-25-20)9-16-8-7-14-5-4-6-19(23(14)26-16)27-33(24,28)29/h4-8,10-12,27H,9,13H2,1-3H3,(H2,24,28,29)
InChIKeyGUKXZAZGIQAWON-UHFFFAOYSA-N
MW468.54 g/mol
LogP3.15
Rot. Bonds8

About 6,7-dimethoxy-1-(methoxymethyl)-4-[[8-(sulfamoylamino)quinolin-2-yl]methyl]isoquinoline

6,7-dimethoxy-1-(methoxymethyl)-4-[[8-(sulfamoylamino)quinolin-2-yl]methyl]isoquinoline (PubChem CID 91801201) has the molecular formula C23H24N4O5S and a molecular weight of 468.54 g/mol. Its IUPAC name is 6,7-dimethoxy-1-(methoxymethyl)-4-[[8-(sulfamoylamino)quinolin-2-yl]methyl]isoquinoline.

Molecular Properties

Compound Name6,7-dimethoxy-1-(methoxymethyl)-4-[[8-(sulfamoylamino)quinolin-2-yl]methyl]isoquinoline
PubChem CID91801201
Molecular FormulaC23H24N4O5S
Molecular Weight468.54 g/mol
Exact Mass468.15
IUPAC Name6,7-dimethoxy-1-(methoxymethyl)-4-[[8-(sulfamoylamino)quinolin-2-yl]methyl]isoquinoline
SMILESCOCc1ncc(Cc2ccc3cccc(NS(N)(=O)=O)c3n2)c2cc(OC)c(OC)cc12
InChIInChI=1S/C23H24N4O5S/c1-30-13-20-18-11-22(32-3)21(31-2)10-17(18)15(12-25-20)9-16-8-7-14-5-4-6-19(23(14)26-16)27-33(24,28)29/h4-8,10-12,27H,9,13H2,1-3H3,(H2,24,28,29)
InChIKeyGUKXZAZGIQAWON-UHFFFAOYSA-N
XLogP3.15
TPSA125.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.54
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1-(methoxymethyl)-4-[[8-(sulfamoylamino)quinolin-2-yl]methyl]isoquinoline?
The IUPAC name of 6,7-dimethoxy-1-(methoxymethyl)-4-[[8-(sulfamoylamino)quinolin-2-yl]methyl]isoquinoline (CID 91801201) is 6,7-dimethoxy-1-(methoxymethyl)-4-[[8-(sulfamoylamino)quinolin-2-yl]methyl]isoquinoline.
What is the SMILES notation for 6,7-dimethoxy-1-(methoxymethyl)-4-[[8-(sulfamoylamino)quinolin-2-yl]methyl]isoquinoline?
The canonical SMILES for 6,7-dimethoxy-1-(methoxymethyl)-4-[[8-(sulfamoylamino)quinolin-2-yl]methyl]isoquinoline is COCc1ncc(Cc2ccc3cccc(NS(N)(=O)=O)c3n2)c2cc(OC)c(OC)cc12.
What is the InChIKey of 6,7-dimethoxy-1-(methoxymethyl)-4-[[8-(sulfamoylamino)quinolin-2-yl]methyl]isoquinoline?
The InChIKey is GUKXZAZGIQAWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O5S/c1-30-13-20-18-11-22(32-3)21(31-2)10-17(18)15(12-25-20)9-16-8-7-14-5-4-6-19(23(14)26-16)27-33(24,28)29/h4-8,10-12,27H,9,13H2,1-3H3,(H2,24,28,29).
What are the key properties of 6,7-dimethoxy-1-(methoxymethyl)-4-[[8-(sulfamoylamino)quinolin-2-yl]methyl]isoquinoline?
6,7-dimethoxy-1-(methoxymethyl)-4-[[8-(sulfamoylamino)quinolin-2-yl]methyl]isoquinoline has a molecular weight of 468.54 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1-(methoxymethyl)-4-[[8-(sulfamoylamino)quinolin-2-yl]methyl]isoquinoline is sourced from PubChem (CID 91801201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).