7-fluoro-2-[(4-methoxyphenyl)methyl]-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

C34H25FN2O5 — CID 18868563

IUPAC7-fluoro-2-[(4-methoxyphenyl)methyl]-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESCOc1ccc(CN2C(=O)c3oc4ccc(F)cc4c(=O)c3C23C(=O)N(Cc2ccccc2C)c2ccccc23)cc1
InChIInChI=1S/C34H25FN2O5/c1-20-7-3-4-8-22(20)19-36-27-10-6-5-9-26(27)34(33(36)40)29-30(38)25-17-23(35)13-16-28(25)42-31(29)32(39)37(34)18-21-11-14-24(41-2)15-12-21/h3-17H,18-19H2,1-2H3
InChIKeyQOWLEVMXJDSZGQ-UHFFFAOYSA-N
MW560.58 g/mol
LogP5.70
Rot. Bonds5

About 7-fluoro-2-[(4-methoxyphenyl)methyl]-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

7-fluoro-2-[(4-methoxyphenyl)methyl]-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (PubChem CID 18868563) has the molecular formula C34H25FN2O5 and a molecular weight of 560.58 g/mol. Its IUPAC name is 7-fluoro-2-[(4-methoxyphenyl)methyl]-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

Molecular Properties

Compound Name7-fluoro-2-[(4-methoxyphenyl)methyl]-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
PubChem CID18868563
Molecular FormulaC34H25FN2O5
Molecular Weight560.58 g/mol
Exact Mass560.17
IUPAC Name7-fluoro-2-[(4-methoxyphenyl)methyl]-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESCOc1ccc(CN2C(=O)c3oc4ccc(F)cc4c(=O)c3C23C(=O)N(Cc2ccccc2C)c2ccccc23)cc1
InChIInChI=1S/C34H25FN2O5/c1-20-7-3-4-8-22(20)19-36-27-10-6-5-9-26(27)34(33(36)40)29-30(38)25-17-23(35)13-16-28(25)42-31(29)32(39)37(34)18-21-11-14-24(41-2)15-12-21/h3-17H,18-19H2,1-2H3
InChIKeyQOWLEVMXJDSZGQ-UHFFFAOYSA-N
XLogP5.70
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.58
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-[(4-methoxyphenyl)methyl]-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The IUPAC name of 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) is 7-fluoro-2-[(4-methoxyphenyl)methyl]-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.
What is the SMILES notation for 7-fluoro-2-[(4-methoxyphenyl)methyl]-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The canonical SMILES for 7-fluoro-2-[(4-methoxyphenyl)methyl]-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is COc1ccc(CN2C(=O)c3oc4ccc(F)cc4c(=O)c3C23C(=O)N(Cc2ccccc2C)c2ccccc23)cc1.
What is the InChIKey of 7-fluoro-2-[(4-methoxyphenyl)methyl]-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The InChIKey is QOWLEVMXJDSZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25FN2O5/c1-20-7-3-4-8-22(20)19-36-27-10-6-5-9-26(27)34(33(36)40)29-30(38)25-17-23(35)13-16-28(25)42-31(29)32(39)37(34)18-21-11-14-24(41-2)15-12-21/h3-17H,18-19H2,1-2H3.
What are the key properties of 7-fluoro-2-[(4-methoxyphenyl)methyl]-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
7-fluoro-2-[(4-methoxyphenyl)methyl]-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione has a molecular weight of 560.58 g/mol, XLogP of 5.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-[(4-methoxyphenyl)methyl]-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is sourced from PubChem (CID 18868563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).