2-butyl-7-fluoro-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

C30H25FN2O4 — CID 18868558

IUPAC2-butyl-7-fluoro-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESCCCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2C12C(=O)N(Cc1ccccc1C)c1ccccc12
InChIInChI=1S/C30H25FN2O4/c1-3-4-15-33-28(35)27-25(26(34)21-16-20(31)13-14-24(21)37-27)30(33)22-11-7-8-12-23(22)32(29(30)36)17-19-10-6-5-9-18(19)2/h5-14,16H,3-4,15,17H2,1-2H3
InChIKeyKQXFGUZBRWTJQW-UHFFFAOYSA-N
MW496.54 g/mol
LogP5.29
Rot. Bonds5

About 2-butyl-7-fluoro-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

2-butyl-7-fluoro-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (PubChem CID 18868558) has the molecular formula C30H25FN2O4 and a molecular weight of 496.54 g/mol. Its IUPAC name is 2-butyl-7-fluoro-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

Molecular Properties

Compound Name2-butyl-7-fluoro-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
PubChem CID18868558
Molecular FormulaC30H25FN2O4
Molecular Weight496.54 g/mol
Exact Mass496.18
IUPAC Name2-butyl-7-fluoro-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESCCCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2C12C(=O)N(Cc1ccccc1C)c1ccccc12
InChIInChI=1S/C30H25FN2O4/c1-3-4-15-33-28(35)27-25(26(34)21-16-20(31)13-14-24(21)37-27)30(33)22-11-7-8-12-23(22)32(29(30)36)17-19-10-6-5-9-18(19)2/h5-14,16H,3-4,15,17H2,1-2H3
InChIKeyKQXFGUZBRWTJQW-UHFFFAOYSA-N
XLogP5.29
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.54
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-fluoro-1'-[(2-methylphenyl)methyl]-2-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18868557
7-fluoro-2-(2-hydroxyethyl)-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18868559
2-butyl-7-fluoro-1'-[(4-fluorophenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18868423
7-fluoro-2-[(4-methoxyphenyl)methyl]-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18868563
1'-benzyl-2-butyl-7-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18868824
2-butyl-7-methyl-1'-[(4-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18868869
7-methyl-1'-[(2-methylphenyl)methyl]-2-(2-phenylethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18869372
1'-ethyl-7-fluoro-2-(2-hydroxyethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18868190
1'-[(2-chlorophenyl)methyl]-7-fluoro-2-[(4-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18868517
2-butyl-7-chloro-1'-ethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 2980273
2-[2-(4-methoxyphenyl)ethyl]-7-methyl-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18869373
7-chloro-1'-[(2-methylphenyl)methyl]-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18868062

Frequently Asked Questions

What is the IUPAC name of 2-butyl-7-fluoro-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The IUPAC name of 2-butyl-7-fluoro-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (CID 18868558) is 2-butyl-7-fluoro-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.
What is the SMILES notation for 2-butyl-7-fluoro-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The canonical SMILES for 2-butyl-7-fluoro-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is CCCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2C12C(=O)N(Cc1ccccc1C)c1ccccc12.
What is the InChIKey of 2-butyl-7-fluoro-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The InChIKey is KQXFGUZBRWTJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25FN2O4/c1-3-4-15-33-28(35)27-25(26(34)21-16-20(31)13-14-24(21)37-27)30(33)22-11-7-8-12-23(22)32(29(30)36)17-19-10-6-5-9-18(19)2/h5-14,16H,3-4,15,17H2,1-2H3.
What are the key properties of 2-butyl-7-fluoro-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
2-butyl-7-fluoro-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione has a molecular weight of 496.54 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-7-fluoro-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is sourced from PubChem (CID 18868558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).