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

C30H26N2O5 — CID 18869420

IUPAC2-(3-hydroxypropyl)-7-methyl-1'-[(3-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESCc1cccc(CN2C(=O)C3(c4ccccc42)c2c(oc4ccc(C)cc4c2=O)C(=O)N3CCCO)c1
InChIInChI=1S/C30H26N2O5/c1-18-7-5-8-20(15-18)17-31-23-10-4-3-9-22(23)30(29(31)36)25-26(34)21-16-19(2)11-12-24(21)37-27(25)28(35)32(30)13-6-14-33/h3-5,7-12,15-16,33H,6,13-14,17H2,1-2H3
InChIKeyCADOOSRFRYJCCJ-UHFFFAOYSA-N
MW494.55 g/mol
LogP4.04
Rot. Bonds5

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

2-(3-hydroxypropyl)-7-methyl-1'-[(3-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (PubChem CID 18869420) has the molecular formula C30H26N2O5 and a molecular weight of 494.55 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)-7-methyl-1'-[(3-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

Molecular Properties

Compound Name2-(3-hydroxypropyl)-7-methyl-1'-[(3-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
PubChem CID18869420
Molecular FormulaC30H26N2O5
Molecular Weight494.55 g/mol
Exact Mass494.18
IUPAC Name2-(3-hydroxypropyl)-7-methyl-1'-[(3-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESCc1cccc(CN2C(=O)C3(c4ccccc42)c2c(oc4ccc(C)cc4c2=O)C(=O)N3CCCO)c1
InChIInChI=1S/C30H26N2O5/c1-18-7-5-8-20(15-18)17-31-23-10-4-3-9-22(23)30(29(31)36)25-26(34)21-16-19(2)11-12-24(21)37-27(25)28(35)32(30)13-6-14-33/h3-5,7-12,15-16,33H,6,13-14,17H2,1-2H3
InChIKeyCADOOSRFRYJCCJ-UHFFFAOYSA-N
XLogP4.04
TPSA91.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.55
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)-7-methyl-1'-[(3-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The IUPAC name of 2-(3-hydroxypropyl)-7-methyl-1'-[(3-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (CID 18869420) is 2-(3-hydroxypropyl)-7-methyl-1'-[(3-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.
What is the SMILES notation for 2-(3-hydroxypropyl)-7-methyl-1'-[(3-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The canonical SMILES for 2-(3-hydroxypropyl)-7-methyl-1'-[(3-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is Cc1cccc(CN2C(=O)C3(c4ccccc42)c2c(oc4ccc(C)cc4c2=O)C(=O)N3CCCO)c1.
What is the InChIKey of 2-(3-hydroxypropyl)-7-methyl-1'-[(3-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The InChIKey is CADOOSRFRYJCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N2O5/c1-18-7-5-8-20(15-18)17-31-23-10-4-3-9-22(23)30(29(31)36)25-26(34)21-16-19(2)11-12-24(21)37-27(25)28(35)32(30)13-6-14-33/h3-5,7-12,15-16,33H,6,13-14,17H2,1-2H3.
What are the key properties of 2-(3-hydroxypropyl)-7-methyl-1'-[(3-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
2-(3-hydroxypropyl)-7-methyl-1'-[(3-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione has a molecular weight of 494.55 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)-7-methyl-1'-[(3-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is sourced from PubChem (CID 18869420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).