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4-[3-methoxy-4-[(sulfamoylamino)methyl]phenyl]-7-(trideuteriomethoxy)quinoline

C18H19N3O4S — CID 155099810

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-[3-methoxy-4-[(sulfamoylamino)methyl]phenyl]-7-(trideuteriomethoxy)quinoline
SMILES[2H]C([2H])([2H])Oc1ccc2c(-c3ccc(CNS(N)(=O)=O)c(OC)c3)ccnc2c1
InChIInChI=1S/C18H19N3O4S/c1-24-14-5-6-16-15(7-8-20-17(16)10-14)12-3-4-13(18(9-12)25-2)11-21-26(19,22)23/h3-10,21H,11H2,1-2H3,(H2,19,22,23)/i1D3
InChIKeyDPTGNYZFRCCQSL-FIBGUPNXSA-N
MW376.45 g/mol
LogP2.21
Rot. Bonds7

About 4-[3-methoxy-4-[(sulfamoylamino)methyl]phenyl]-7-(trideuteriomethoxy)quinoline

4-[3-methoxy-4-[(sulfamoylamino)methyl]phenyl]-7-(trideuteriomethoxy)quinoline (PubChem CID 155099810) has the molecular formula C18H19N3O4S and a molecular weight of 376.45 g/mol. Its IUPAC name is 4-[3-methoxy-4-[(sulfamoylamino)methyl]phenyl]-7-(trideuteriomethoxy)quinoline.

Molecular Properties

Compound Name4-[3-methoxy-4-[(sulfamoylamino)methyl]phenyl]-7-(trideuteriomethoxy)quinoline
PubChem CID155099810
Molecular FormulaC18H19N3O4S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC Name4-[3-methoxy-4-[(sulfamoylamino)methyl]phenyl]-7-(trideuteriomethoxy)quinoline
SMILES[2H]C([2H])([2H])Oc1ccc2c(-c3ccc(CNS(N)(=O)=O)c(OC)c3)ccnc2c1
InChIInChI=1S/C18H19N3O4S/c1-24-14-5-6-16-15(7-8-20-17(16)10-14)12-3-4-13(18(9-12)25-2)11-21-26(19,22)23/h3-10,21H,11H2,1-2H3,(H2,19,22,23)/i1D3
InChIKeyDPTGNYZFRCCQSL-FIBGUPNXSA-N
XLogP2.21
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-methoxy-4-[(sulfamoylamino)methyl]phenyl]-7-(trideuteriomethoxy)quinoline?
The IUPAC name of 4-[3-methoxy-4-[(sulfamoylamino)methyl]phenyl]-7-(trideuteriomethoxy)quinoline (CID 155099810) is 4-[3-methoxy-4-[(sulfamoylamino)methyl]phenyl]-7-(trideuteriomethoxy)quinoline.
What is the SMILES notation for 4-[3-methoxy-4-[(sulfamoylamino)methyl]phenyl]-7-(trideuteriomethoxy)quinoline?
The canonical SMILES for 4-[3-methoxy-4-[(sulfamoylamino)methyl]phenyl]-7-(trideuteriomethoxy)quinoline is [2H]C([2H])([2H])Oc1ccc2c(-c3ccc(CNS(N)(=O)=O)c(OC)c3)ccnc2c1.
What is the InChIKey of 4-[3-methoxy-4-[(sulfamoylamino)methyl]phenyl]-7-(trideuteriomethoxy)quinoline?
The InChIKey is DPTGNYZFRCCQSL-FIBGUPNXSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-24-14-5-6-16-15(7-8-20-17(16)10-14)12-3-4-13(18(9-12)25-2)11-21-26(19,22)23/h3-10,21H,11H2,1-2H3,(H2,19,22,23)/i1D3.
What are the key properties of 4-[3-methoxy-4-[(sulfamoylamino)methyl]phenyl]-7-(trideuteriomethoxy)quinoline?
4-[3-methoxy-4-[(sulfamoylamino)methyl]phenyl]-7-(trideuteriomethoxy)quinoline has a molecular weight of 376.45 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methoxy-4-[(sulfamoylamino)methyl]phenyl]-7-(trideuteriomethoxy)quinoline is sourced from PubChem (CID 155099810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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