7-bromo-2-butyl-1'-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

C23H19BrN2O4 — CID 4262004

IUPAC7-bromo-2-butyl-1'-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESCCCCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2C12C(=O)N(C)c1ccccc12
InChIInChI=1S/C23H19BrN2O4/c1-3-4-11-26-21(28)20-18(19(27)14-12-13(24)9-10-17(14)30-20)23(26)15-7-5-6-8-16(15)25(2)22(23)29/h5-10,12H,3-4,11H2,1-2H3
InChIKeyNQKMHDCUMMDLND-UHFFFAOYSA-N
MW467.32 g/mol
LogP4.03
Rot. Bonds3

About 7-bromo-2-butyl-1'-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

7-bromo-2-butyl-1'-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (PubChem CID 4262004) has the molecular formula C23H19BrN2O4 and a molecular weight of 467.32 g/mol. Its IUPAC name is 7-bromo-2-butyl-1'-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

Molecular Properties

Compound Name7-bromo-2-butyl-1'-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
PubChem CID4262004
Molecular FormulaC23H19BrN2O4
Molecular Weight467.32 g/mol
Exact Mass466.05
IUPAC Name7-bromo-2-butyl-1'-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESCCCCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2C12C(=O)N(C)c1ccccc12
InChIInChI=1S/C23H19BrN2O4/c1-3-4-11-26-21(28)20-18(19(27)14-12-13(24)9-10-17(14)30-20)23(26)15-7-5-6-8-16(15)25(2)22(23)29/h5-10,12H,3-4,11H2,1-2H3
InChIKeyNQKMHDCUMMDLND-UHFFFAOYSA-N
XLogP4.03
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.32
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-bromo-2-butyl-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 7-bromo-2-butyl-1'-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The IUPAC name of 7-bromo-2-butyl-1'-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (CID 4262004) is 7-bromo-2-butyl-1'-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.
What is the SMILES notation for 7-bromo-2-butyl-1'-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The canonical SMILES for 7-bromo-2-butyl-1'-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is CCCCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2C12C(=O)N(C)c1ccccc12.
What is the InChIKey of 7-bromo-2-butyl-1'-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The InChIKey is NQKMHDCUMMDLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrN2O4/c1-3-4-11-26-21(28)20-18(19(27)14-12-13(24)9-10-17(14)30-20)23(26)15-7-5-6-8-16(15)25(2)22(23)29/h5-10,12H,3-4,11H2,1-2H3.
What are the key properties of 7-bromo-2-butyl-1'-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
7-bromo-2-butyl-1'-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione has a molecular weight of 467.32 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-butyl-1'-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is sourced from PubChem (CID 4262004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).