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

C30H25FN2O5 — CID 18868251

IUPAC7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESCCCN1C(=O)C2(c3ccccc31)c1c(oc3ccc(F)cc3c1=O)C(=O)N2CCc1ccc(OC)cc1
InChIInChI=1S/C30H25FN2O5/c1-3-15-32-23-7-5-4-6-22(23)30(29(32)36)25-26(34)21-17-19(31)10-13-24(21)38-27(25)28(35)33(30)16-14-18-8-11-20(37-2)12-9-18/h4-13,17H,3,14-16H2,1-2H3
InChIKeyPBMVQVFPFRZFQT-UHFFFAOYSA-N
MW512.54 g/mol
LogP4.64
Rot. Bonds6

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

7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (PubChem CID 18868251) has the molecular formula C30H25FN2O5 and a molecular weight of 512.54 g/mol. Its IUPAC name is 7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

Molecular Properties

Compound Name7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
PubChem CID18868251
Molecular FormulaC30H25FN2O5
Molecular Weight512.54 g/mol
Exact Mass512.17
IUPAC Name7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESCCCN1C(=O)C2(c3ccccc31)c1c(oc3ccc(F)cc3c1=O)C(=O)N2CCc1ccc(OC)cc1
InChIInChI=1S/C30H25FN2O5/c1-3-15-32-23-7-5-4-6-22(23)30(29(32)36)25-26(34)21-17-19(31)10-13-24(21)38-27(25)28(35)33(30)16-14-18-8-11-20(37-2)12-9-18/h4-13,17H,3,14-16H2,1-2H3
InChIKeyPBMVQVFPFRZFQT-UHFFFAOYSA-N
XLogP4.64
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.54
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The IUPAC name of 7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (CID 18868251) is 7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.
What is the SMILES notation for 7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The canonical SMILES for 7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is CCCN1C(=O)C2(c3ccccc31)c1c(oc3ccc(F)cc3c1=O)C(=O)N2CCc1ccc(OC)cc1.
What is the InChIKey of 7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The InChIKey is PBMVQVFPFRZFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25FN2O5/c1-3-15-32-23-7-5-4-6-22(23)30(29(32)36)25-26(34)21-17-19(31)10-13-24(21)38-27(25)28(35)33(30)16-14-18-8-11-20(37-2)12-9-18/h4-13,17H,3,14-16H2,1-2H3.
What are the key properties of 7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione has a molecular weight of 512.54 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is sourced from PubChem (CID 18868251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).