2-[4-(furan-2-yl)-8-morpholin-4-ylsulfonyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl]ethyl acetate

C23H21N3O8S — CID 11397895

IUPAC2-[4-(furan-2-yl)-8-morpholin-4-ylsulfonyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl]ethyl acetate
SMILESCC(=O)OCCN1C(=O)c2c(-c3ccco3)nc3ccc(S(=O)(=O)N4CCOCC4)cc3c2C1=O
InChIInChI=1S/C23H21N3O8S/c1-14(27)33-12-8-26-22(28)19-16-13-15(35(30,31)25-6-10-32-11-7-25)4-5-17(16)24-21(20(19)23(26)29)18-3-2-9-34-18/h2-5,9,13H,6-8,10-12H2,1H3
InChIKeyNQKDMUZXDTVKOX-UHFFFAOYSA-N
MW499.50 g/mol
LogP1.67
Rot. Bonds6

About 2-[4-(furan-2-yl)-8-morpholin-4-ylsulfonyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl]ethyl acetate

2-[4-(furan-2-yl)-8-morpholin-4-ylsulfonyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl]ethyl acetate (PubChem CID 11397895) has the molecular formula C23H21N3O8S and a molecular weight of 499.50 g/mol. Its IUPAC name is 2-[4-(furan-2-yl)-8-morpholin-4-ylsulfonyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl]ethyl acetate.

Molecular Properties

Compound Name2-[4-(furan-2-yl)-8-morpholin-4-ylsulfonyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl]ethyl acetate
PubChem CID11397895
Molecular FormulaC23H21N3O8S
Molecular Weight499.50 g/mol
Exact Mass499.10
IUPAC Name2-[4-(furan-2-yl)-8-morpholin-4-ylsulfonyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl]ethyl acetate
SMILESCC(=O)OCCN1C(=O)c2c(-c3ccco3)nc3ccc(S(=O)(=O)N4CCOCC4)cc3c2C1=O
InChIInChI=1S/C23H21N3O8S/c1-14(27)33-12-8-26-22(28)19-16-13-15(35(30,31)25-6-10-32-11-7-25)4-5-17(16)24-21(20(19)23(26)29)18-3-2-9-34-18/h2-5,9,13H,6-8,10-12H2,1H3
InChIKeyNQKDMUZXDTVKOX-UHFFFAOYSA-N
XLogP1.67
TPSA136.32 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.50
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[4-(furan-2-yl)-8-morpholin-4-ylsulfonyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl]ethyl acetate 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 2-[4-(furan-2-yl)-8-morpholin-4-ylsulfonyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl]ethyl acetate?
The IUPAC name of 2-[4-(furan-2-yl)-8-morpholin-4-ylsulfonyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl]ethyl acetate (CID 11397895) is 2-[4-(furan-2-yl)-8-morpholin-4-ylsulfonyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl]ethyl acetate.
What is the SMILES notation for 2-[4-(furan-2-yl)-8-morpholin-4-ylsulfonyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl]ethyl acetate?
The canonical SMILES for 2-[4-(furan-2-yl)-8-morpholin-4-ylsulfonyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl]ethyl acetate is CC(=O)OCCN1C(=O)c2c(-c3ccco3)nc3ccc(S(=O)(=O)N4CCOCC4)cc3c2C1=O.
What is the InChIKey of 2-[4-(furan-2-yl)-8-morpholin-4-ylsulfonyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl]ethyl acetate?
The InChIKey is NQKDMUZXDTVKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O8S/c1-14(27)33-12-8-26-22(28)19-16-13-15(35(30,31)25-6-10-32-11-7-25)4-5-17(16)24-21(20(19)23(26)29)18-3-2-9-34-18/h2-5,9,13H,6-8,10-12H2,1H3.
What are the key properties of 2-[4-(furan-2-yl)-8-morpholin-4-ylsulfonyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl]ethyl acetate?
2-[4-(furan-2-yl)-8-morpholin-4-ylsulfonyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl]ethyl acetate has a molecular weight of 499.50 g/mol, XLogP of 1.67, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-yl)-8-morpholin-4-ylsulfonyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl]ethyl acetate is sourced from PubChem (CID 11397895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).