3-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-7-(furan-2-yl)-2-oxo-8-N-thiophen-3-yl-1H-quinoline-3,8-dicarboxamide

C23H17N3O6S2 — CID 176988703

IUPAC3-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-7-(furan-2-yl)-2-oxo-8-N-thiophen-3-yl-1H-quinoline-3,8-dicarboxamide
SMILESO=C(N[C@@H]1C=CS(=O)(=O)C1)c1cc2ccc(-c3ccco3)c(C(=O)Nc3ccsc3)c2[nH]c1=O
InChIInChI=1S/C23H17N3O6S2/c27-21(25-15-6-9-34(30,31)12-15)17-10-13-3-4-16(18-2-1-7-32-18)19(20(13)26-22(17)28)23(29)24-14-5-8-33-11-14/h1-11,15H,12H2,(H,24,29)(H,25,27)(H,26,28)/t15-/m1/s1
InChIKeyFHPRAMLHVXOJEB-OAHLLOKOSA-N
MW495.54 g/mol
LogP3.14
Rot. Bonds5

About 3-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-7-(furan-2-yl)-2-oxo-8-N-thiophen-3-yl-1H-quinoline-3,8-dicarboxamide

3-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-7-(furan-2-yl)-2-oxo-8-N-thiophen-3-yl-1H-quinoline-3,8-dicarboxamide (PubChem CID 176988703) has the molecular formula C23H17N3O6S2 and a molecular weight of 495.54 g/mol. Its IUPAC name is 3-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-7-(furan-2-yl)-2-oxo-8-N-thiophen-3-yl-1H-quinoline-3,8-dicarboxamide.

Molecular Properties

Compound Name3-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-7-(furan-2-yl)-2-oxo-8-N-thiophen-3-yl-1H-quinoline-3,8-dicarboxamide
PubChem CID176988703
Molecular FormulaC23H17N3O6S2
Molecular Weight495.54 g/mol
Exact Mass495.06
IUPAC Name3-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-7-(furan-2-yl)-2-oxo-8-N-thiophen-3-yl-1H-quinoline-3,8-dicarboxamide
SMILESO=C(N[C@@H]1C=CS(=O)(=O)C1)c1cc2ccc(-c3ccco3)c(C(=O)Nc3ccsc3)c2[nH]c1=O
InChIInChI=1S/C23H17N3O6S2/c27-21(25-15-6-9-34(30,31)12-15)17-10-13-3-4-16(18-2-1-7-32-18)19(20(13)26-22(17)28)23(29)24-14-5-8-33-11-14/h1-11,15H,12H2,(H,24,29)(H,25,27)(H,26,28)/t15-/m1/s1
InChIKeyFHPRAMLHVXOJEB-OAHLLOKOSA-N
XLogP3.14
TPSA138.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.54
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-7-(furan-2-yl)-2-oxo-8-N-thiophen-3-yl-1H-quinoline-3,8-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-7-(furan-2-yl)-2-oxo-8-N-thiophen-3-yl-1H-quinoline-3,8-dicarboxamide?
The IUPAC name of 3-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-7-(furan-2-yl)-2-oxo-8-N-thiophen-3-yl-1H-quinoline-3,8-dicarboxamide (CID 176988703) is 3-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-7-(furan-2-yl)-2-oxo-8-N-thiophen-3-yl-1H-quinoline-3,8-dicarboxamide.
What is the SMILES notation for 3-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-7-(furan-2-yl)-2-oxo-8-N-thiophen-3-yl-1H-quinoline-3,8-dicarboxamide?
The canonical SMILES for 3-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-7-(furan-2-yl)-2-oxo-8-N-thiophen-3-yl-1H-quinoline-3,8-dicarboxamide is O=C(N[C@@H]1C=CS(=O)(=O)C1)c1cc2ccc(-c3ccco3)c(C(=O)Nc3ccsc3)c2[nH]c1=O.
What is the InChIKey of 3-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-7-(furan-2-yl)-2-oxo-8-N-thiophen-3-yl-1H-quinoline-3,8-dicarboxamide?
The InChIKey is FHPRAMLHVXOJEB-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H17N3O6S2/c27-21(25-15-6-9-34(30,31)12-15)17-10-13-3-4-16(18-2-1-7-32-18)19(20(13)26-22(17)28)23(29)24-14-5-8-33-11-14/h1-11,15H,12H2,(H,24,29)(H,25,27)(H,26,28)/t15-/m1/s1.
What are the key properties of 3-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-7-(furan-2-yl)-2-oxo-8-N-thiophen-3-yl-1H-quinoline-3,8-dicarboxamide?
3-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-7-(furan-2-yl)-2-oxo-8-N-thiophen-3-yl-1H-quinoline-3,8-dicarboxamide has a molecular weight of 495.54 g/mol, XLogP of 3.14, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-7-(furan-2-yl)-2-oxo-8-N-thiophen-3-yl-1H-quinoline-3,8-dicarboxamide is sourced from PubChem (CID 176988703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).