2-(3-methoxypropyl)-1'-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

C23H20N2O5 — CID 3443825

IUPAC2-(3-methoxypropyl)-1'-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESCOCCCN1C(=O)c2oc3ccccc3c(=O)c2C12C(=O)N(C)c1ccccc12
InChIInChI=1S/C23H20N2O5/c1-24-16-10-5-4-9-15(16)23(22(24)28)18-19(26)14-8-3-6-11-17(14)30-20(18)21(27)25(23)12-7-13-29-2/h3-6,8-11H,7,12-13H2,1-2H3
InChIKeyBDVRNZCRYPHGJK-UHFFFAOYSA-N
MW404.42 g/mol
LogP2.51
Rot. Bonds4

About 2-(3-methoxypropyl)-1'-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

2-(3-methoxypropyl)-1'-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (PubChem CID 3443825) has the molecular formula C23H20N2O5 and a molecular weight of 404.42 g/mol. Its IUPAC name is 2-(3-methoxypropyl)-1'-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

Molecular Properties

Compound Name2-(3-methoxypropyl)-1'-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
PubChem CID3443825
Molecular FormulaC23H20N2O5
Molecular Weight404.42 g/mol
Exact Mass404.14
IUPAC Name2-(3-methoxypropyl)-1'-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESCOCCCN1C(=O)c2oc3ccccc3c(=O)c2C12C(=O)N(C)c1ccccc12
InChIInChI=1S/C23H20N2O5/c1-24-16-10-5-4-9-15(16)23(22(24)28)18-19(26)14-8-3-6-11-17(14)30-20(18)21(27)25(23)12-7-13-29-2/h3-6,8-11H,7,12-13H2,1-2H3
InChIKeyBDVRNZCRYPHGJK-UHFFFAOYSA-N
XLogP2.51
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(3-methoxypropyl)-1'-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione 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-(3-methoxypropyl)-1'-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The IUPAC name of 2-(3-methoxypropyl)-1'-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (CID 3443825) is 2-(3-methoxypropyl)-1'-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.
What is the SMILES notation for 2-(3-methoxypropyl)-1'-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The canonical SMILES for 2-(3-methoxypropyl)-1'-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is COCCCN1C(=O)c2oc3ccccc3c(=O)c2C12C(=O)N(C)c1ccccc12.
What is the InChIKey of 2-(3-methoxypropyl)-1'-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The InChIKey is BDVRNZCRYPHGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O5/c1-24-16-10-5-4-9-15(16)23(22(24)28)18-19(26)14-8-3-6-11-17(14)30-20(18)21(27)25(23)12-7-13-29-2/h3-6,8-11H,7,12-13H2,1-2H3.
What are the key properties of 2-(3-methoxypropyl)-1'-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
2-(3-methoxypropyl)-1'-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione has a molecular weight of 404.42 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)-1'-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is sourced from PubChem (CID 3443825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).