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

C29H23FN2O4 — CID 18868557

IUPAC7-fluoro-1'-[(2-methylphenyl)methyl]-2-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESCCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2C12C(=O)N(Cc1ccccc1C)c1ccccc12
InChIInChI=1S/C29H23FN2O4/c1-3-14-32-27(34)26-24(25(33)20-15-19(30)12-13-23(20)36-26)29(32)21-10-6-7-11-22(21)31(28(29)35)16-18-9-5-4-8-17(18)2/h4-13,15H,3,14,16H2,1-2H3
InChIKeyISOHJQILPGOIBM-UHFFFAOYSA-N
MW482.51 g/mol
LogP4.90
Rot. Bonds4

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

7-fluoro-1'-[(2-methylphenyl)methyl]-2-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (PubChem CID 18868557) has the molecular formula C29H23FN2O4 and a molecular weight of 482.51 g/mol. Its IUPAC name is 7-fluoro-1'-[(2-methylphenyl)methyl]-2-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

Molecular Properties

Compound Name7-fluoro-1'-[(2-methylphenyl)methyl]-2-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
PubChem CID18868557
Molecular FormulaC29H23FN2O4
Molecular Weight482.51 g/mol
Exact Mass482.16
IUPAC Name7-fluoro-1'-[(2-methylphenyl)methyl]-2-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESCCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2C12C(=O)N(Cc1ccccc1C)c1ccccc12
InChIInChI=1S/C29H23FN2O4/c1-3-14-32-27(34)26-24(25(33)20-15-19(30)12-13-23(20)36-26)29(32)21-10-6-7-11-22(21)31(28(29)35)16-18-9-5-4-8-17(18)2/h4-13,15H,3,14,16H2,1-2H3
InChIKeyISOHJQILPGOIBM-UHFFFAOYSA-N
XLogP4.90
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.51
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1'-[(2-methylphenyl)methyl]-2-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The IUPAC name of 7-fluoro-1'-[(2-methylphenyl)methyl]-2-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (CID 18868557) is 7-fluoro-1'-[(2-methylphenyl)methyl]-2-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.
What is the SMILES notation for 7-fluoro-1'-[(2-methylphenyl)methyl]-2-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The canonical SMILES for 7-fluoro-1'-[(2-methylphenyl)methyl]-2-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is CCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2C12C(=O)N(Cc1ccccc1C)c1ccccc12.
What is the InChIKey of 7-fluoro-1'-[(2-methylphenyl)methyl]-2-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The InChIKey is ISOHJQILPGOIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23FN2O4/c1-3-14-32-27(34)26-24(25(33)20-15-19(30)12-13-23(20)36-26)29(32)21-10-6-7-11-22(21)31(28(29)35)16-18-9-5-4-8-17(18)2/h4-13,15H,3,14,16H2,1-2H3.
What are the key properties of 7-fluoro-1'-[(2-methylphenyl)methyl]-2-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
7-fluoro-1'-[(2-methylphenyl)methyl]-2-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione has a molecular weight of 482.51 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1'-[(2-methylphenyl)methyl]-2-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is sourced from PubChem (CID 18868557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).