1'-[(4-chlorophenyl)methyl]-2-(furan-2-ylmethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

C30H19ClN2O5 — CID 18867475

IUPAC1'-[(4-chlorophenyl)methyl]-2-(furan-2-ylmethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESO=C1c2oc3ccccc3c(=O)c2C2(C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)N1Cc1ccco1
InChIInChI=1S/C30H19ClN2O5/c31-19-13-11-18(12-14-19)16-32-23-9-3-2-8-22(23)30(29(32)36)25-26(34)21-7-1-4-10-24(21)38-27(25)28(35)33(30)17-20-6-5-15-37-20/h1-15H,16-17H2
InChIKeyPJOMQVROVCKVEN-UHFFFAOYSA-N
MW522.94 g/mol
LogP5.49
Rot. Bonds4

About 1'-[(4-chlorophenyl)methyl]-2-(furan-2-ylmethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

1'-[(4-chlorophenyl)methyl]-2-(furan-2-ylmethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (PubChem CID 18867475) has the molecular formula C30H19ClN2O5 and a molecular weight of 522.94 g/mol. Its IUPAC name is 1'-[(4-chlorophenyl)methyl]-2-(furan-2-ylmethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

Molecular Properties

Compound Name1'-[(4-chlorophenyl)methyl]-2-(furan-2-ylmethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
PubChem CID18867475
Molecular FormulaC30H19ClN2O5
Molecular Weight522.94 g/mol
Exact Mass522.10
IUPAC Name1'-[(4-chlorophenyl)methyl]-2-(furan-2-ylmethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESO=C1c2oc3ccccc3c(=O)c2C2(C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)N1Cc1ccco1
InChIInChI=1S/C30H19ClN2O5/c31-19-13-11-18(12-14-19)16-32-23-9-3-2-8-22(23)30(29(32)36)25-26(34)21-7-1-4-10-24(21)38-27(25)28(35)33(30)17-20-6-5-15-37-20/h1-15H,16-17H2
InChIKeyPJOMQVROVCKVEN-UHFFFAOYSA-N
XLogP5.49
TPSA83.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.94
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-[(4-chlorophenyl)methyl]-2-(furan-2-ylmethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The IUPAC name of 1'-[(4-chlorophenyl)methyl]-2-(furan-2-ylmethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (CID 18867475) is 1'-[(4-chlorophenyl)methyl]-2-(furan-2-ylmethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.
What is the SMILES notation for 1'-[(4-chlorophenyl)methyl]-2-(furan-2-ylmethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The canonical SMILES for 1'-[(4-chlorophenyl)methyl]-2-(furan-2-ylmethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is O=C1c2oc3ccccc3c(=O)c2C2(C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)N1Cc1ccco1.
What is the InChIKey of 1'-[(4-chlorophenyl)methyl]-2-(furan-2-ylmethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The InChIKey is PJOMQVROVCKVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19ClN2O5/c31-19-13-11-18(12-14-19)16-32-23-9-3-2-8-22(23)30(29(32)36)25-26(34)21-7-1-4-10-24(21)38-27(25)28(35)33(30)17-20-6-5-15-37-20/h1-15H,16-17H2.
What are the key properties of 1'-[(4-chlorophenyl)methyl]-2-(furan-2-ylmethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
1'-[(4-chlorophenyl)methyl]-2-(furan-2-ylmethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione has a molecular weight of 522.94 g/mol, XLogP of 5.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(4-chlorophenyl)methyl]-2-(furan-2-ylmethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is sourced from PubChem (CID 18867475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).