methyl 5-[[4-(quinolin-8-ylsulfonylamino)pyrazol-1-yl]methyl]furan-2-carboxylate

C19H16N4O5S — CID 3819625

IUPACmethyl 5-[[4-(quinolin-8-ylsulfonylamino)pyrazol-1-yl]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(Cn2cc(NS(=O)(=O)c3cccc4cccnc34)cn2)o1
InChIInChI=1S/C19H16N4O5S/c1-27-19(24)16-8-7-15(28-16)12-23-11-14(10-21-23)22-29(25,26)17-6-2-4-13-5-3-9-20-18(13)17/h2-11,22H,12H2,1H3
InChIKeyNGLXFPASKJZDIQ-UHFFFAOYSA-N
MW412.43 g/mol
LogP2.66
Rot. Bonds6

About methyl 5-[[4-(quinolin-8-ylsulfonylamino)pyrazol-1-yl]methyl]furan-2-carboxylate

methyl 5-[[4-(quinolin-8-ylsulfonylamino)pyrazol-1-yl]methyl]furan-2-carboxylate (PubChem CID 3819625) has the molecular formula C19H16N4O5S and a molecular weight of 412.43 g/mol. Its IUPAC name is methyl 5-[[4-(quinolin-8-ylsulfonylamino)pyrazol-1-yl]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[4-(quinolin-8-ylsulfonylamino)pyrazol-1-yl]methyl]furan-2-carboxylate
PubChem CID3819625
Molecular FormulaC19H16N4O5S
Molecular Weight412.43 g/mol
Exact Mass412.08
IUPAC Namemethyl 5-[[4-(quinolin-8-ylsulfonylamino)pyrazol-1-yl]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(Cn2cc(NS(=O)(=O)c3cccc4cccnc34)cn2)o1
InChIInChI=1S/C19H16N4O5S/c1-27-19(24)16-8-7-15(28-16)12-23-11-14(10-21-23)22-29(25,26)17-6-2-4-13-5-3-9-20-18(13)17/h2-11,22H,12H2,1H3
InChIKeyNGLXFPASKJZDIQ-UHFFFAOYSA-N
XLogP2.66
TPSA116.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.43
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 5-[[4-(quinolin-8-ylsulfonylamino)pyrazol-1-yl]methyl]furan-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[4-(quinolin-8-ylsulfonylamino)pyrazol-1-yl]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[4-(quinolin-8-ylsulfonylamino)pyrazol-1-yl]methyl]furan-2-carboxylate (CID 3819625) is methyl 5-[[4-(quinolin-8-ylsulfonylamino)pyrazol-1-yl]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[4-(quinolin-8-ylsulfonylamino)pyrazol-1-yl]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[4-(quinolin-8-ylsulfonylamino)pyrazol-1-yl]methyl]furan-2-carboxylate is COC(=O)c1ccc(Cn2cc(NS(=O)(=O)c3cccc4cccnc34)cn2)o1.
What is the InChIKey of methyl 5-[[4-(quinolin-8-ylsulfonylamino)pyrazol-1-yl]methyl]furan-2-carboxylate?
The InChIKey is NGLXFPASKJZDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O5S/c1-27-19(24)16-8-7-15(28-16)12-23-11-14(10-21-23)22-29(25,26)17-6-2-4-13-5-3-9-20-18(13)17/h2-11,22H,12H2,1H3.
What are the key properties of methyl 5-[[4-(quinolin-8-ylsulfonylamino)pyrazol-1-yl]methyl]furan-2-carboxylate?
methyl 5-[[4-(quinolin-8-ylsulfonylamino)pyrazol-1-yl]methyl]furan-2-carboxylate has a molecular weight of 412.43 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[4-(quinolin-8-ylsulfonylamino)pyrazol-1-yl]methyl]furan-2-carboxylate is sourced from PubChem (CID 3819625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).