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

C24H26N4O4S — CID 74539871

IUPAC6,7-dimethoxy-1-propyl-4-[[8-(sulfamoylamino)quinolin-2-yl]methyl]isoquinoline
SMILESCCCc1ncc(Cc2ccc3cccc(NS(N)(=O)=O)c3n2)c2cc(OC)c(OC)cc12
InChIInChI=1S/C24H26N4O4S/c1-4-6-20-19-13-23(32-3)22(31-2)12-18(19)16(14-26-20)11-17-10-9-15-7-5-8-21(24(15)27-17)28-33(25,29)30/h5,7-10,12-14,28H,4,6,11H2,1-3H3,(H2,25,29,30)
InChIKeyGZCPUOWNWGIHSN-UHFFFAOYSA-N
MW466.56 g/mol
LogP3.96
Rot. Bonds8

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

6,7-dimethoxy-1-propyl-4-[[8-(sulfamoylamino)quinolin-2-yl]methyl]isoquinoline (PubChem CID 74539871) has the molecular formula C24H26N4O4S and a molecular weight of 466.56 g/mol. Its IUPAC name is 6,7-dimethoxy-1-propyl-4-[[8-(sulfamoylamino)quinolin-2-yl]methyl]isoquinoline.

Molecular Properties

Compound Name6,7-dimethoxy-1-propyl-4-[[8-(sulfamoylamino)quinolin-2-yl]methyl]isoquinoline
PubChem CID74539871
Molecular FormulaC24H26N4O4S
Molecular Weight466.56 g/mol
Exact Mass466.17
IUPAC Name6,7-dimethoxy-1-propyl-4-[[8-(sulfamoylamino)quinolin-2-yl]methyl]isoquinoline
SMILESCCCc1ncc(Cc2ccc3cccc(NS(N)(=O)=O)c3n2)c2cc(OC)c(OC)cc12
InChIInChI=1S/C24H26N4O4S/c1-4-6-20-19-13-23(32-3)22(31-2)12-18(19)16(14-26-20)11-17-10-9-15-7-5-8-21(24(15)27-17)28-33(25,29)30/h5,7-10,12-14,28H,4,6,11H2,1-3H3,(H2,25,29,30)
InChIKeyGZCPUOWNWGIHSN-UHFFFAOYSA-N
XLogP3.96
TPSA116.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Papaverine
CID 4680
Papaverine Hydrochloride
CID 6084
Ethaverine
CID 3280
Palmatine
CID 19009
Palmatine Chloride
CID 73442
Coralyne chloride
CID 23306
2,3,9,10-Tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium;chloride;hydrate
CID 16212317
2,3,8,9-Tetramethoxy-5-methylbenzo[c]phenanthridin-5-ium chloride
CID 124193
6,7-Dimethoxy-3-(4-methoxy-phenyl)-quinoline
CID 9882618
6,7-Dimethoxy-3-pyridin-4-yl-quinoline
CID 10061448
Benzyl-(6,7-dimethoxy-quinolin-3-yl)-amine
CID 10424517
6,7-Dimethoxy-3-(3-pyridinyl)quinoline
CID 10445611

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1-propyl-4-[[8-(sulfamoylamino)quinolin-2-yl]methyl]isoquinoline?
The IUPAC name of 6,7-dimethoxy-1-propyl-4-[[8-(sulfamoylamino)quinolin-2-yl]methyl]isoquinoline (CID 74539871) is 6,7-dimethoxy-1-propyl-4-[[8-(sulfamoylamino)quinolin-2-yl]methyl]isoquinoline.
What is the SMILES notation for 6,7-dimethoxy-1-propyl-4-[[8-(sulfamoylamino)quinolin-2-yl]methyl]isoquinoline?
The canonical SMILES for 6,7-dimethoxy-1-propyl-4-[[8-(sulfamoylamino)quinolin-2-yl]methyl]isoquinoline is CCCc1ncc(Cc2ccc3cccc(NS(N)(=O)=O)c3n2)c2cc(OC)c(OC)cc12.
What is the InChIKey of 6,7-dimethoxy-1-propyl-4-[[8-(sulfamoylamino)quinolin-2-yl]methyl]isoquinoline?
The InChIKey is GZCPUOWNWGIHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4S/c1-4-6-20-19-13-23(32-3)22(31-2)12-18(19)16(14-26-20)11-17-10-9-15-7-5-8-21(24(15)27-17)28-33(25,29)30/h5,7-10,12-14,28H,4,6,11H2,1-3H3,(H2,25,29,30).
What are the key properties of 6,7-dimethoxy-1-propyl-4-[[8-(sulfamoylamino)quinolin-2-yl]methyl]isoquinoline?
6,7-dimethoxy-1-propyl-4-[[8-(sulfamoylamino)quinolin-2-yl]methyl]isoquinoline has a molecular weight of 466.56 g/mol, XLogP of 3.96, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1-propyl-4-[[8-(sulfamoylamino)quinolin-2-yl]methyl]isoquinoline is sourced from PubChem (CID 74539871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).