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

C30H26N2O4 — CID 18869422

IUPAC7-methyl-1'-[(3-methylphenyl)methyl]-2-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESCCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2C12C(=O)N(Cc1cccc(C)c1)c1ccccc12
InChIInChI=1S/C30H26N2O4/c1-4-14-32-28(34)27-25(26(33)21-16-19(3)12-13-24(21)36-27)30(32)22-10-5-6-11-23(22)31(29(30)35)17-20-9-7-8-18(2)15-20/h5-13,15-16H,4,14,17H2,1-3H3
InChIKeyFRNCWLBOEBFVDM-UHFFFAOYSA-N
MW478.55 g/mol
LogP5.07
Rot. Bonds4

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

7-methyl-1'-[(3-methylphenyl)methyl]-2-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (PubChem CID 18869422) has the molecular formula C30H26N2O4 and a molecular weight of 478.55 g/mol. Its IUPAC name is 7-methyl-1'-[(3-methylphenyl)methyl]-2-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

Molecular Properties

Compound Name7-methyl-1'-[(3-methylphenyl)methyl]-2-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
PubChem CID18869422
Molecular FormulaC30H26N2O4
Molecular Weight478.55 g/mol
Exact Mass478.19
IUPAC Name7-methyl-1'-[(3-methylphenyl)methyl]-2-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESCCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2C12C(=O)N(Cc1cccc(C)c1)c1ccccc12
InChIInChI=1S/C30H26N2O4/c1-4-14-32-28(34)27-25(26(33)21-16-19(3)12-13-24(21)36-27)30(32)22-10-5-6-11-23(22)31(29(30)35)17-20-9-7-8-18(2)15-20/h5-13,15-16H,4,14,17H2,1-3H3
InChIKeyFRNCWLBOEBFVDM-UHFFFAOYSA-N
XLogP5.07
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.55
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-methyl-1',2-dipropylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18868751
2-(3-hydroxypropyl)-7-methyl-1'-[(3-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18869420
2-butyl-7-methyl-1'-[(4-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18868869
1'-benzyl-2-butyl-7-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18868824
7-methyl-1'-[(3-methylphenyl)methyl]-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18869421
7-methyl-2-(2-phenylethyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 3441762
1'-benzyl-7-chloro-2-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18867839
1'-benzyl-2-[(4-fluorophenyl)methyl]-7-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18868830
7-methyl-1'-[(2-methylphenyl)methyl]-2-(2-phenylethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18869372
2-(3-hydroxypropyl)-6,7-dimethyl-1'-[(3-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18869928
2-[2-(3,4-dimethoxyphenyl)ethyl]-1'-[(3-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18867616
1'-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)methyl]-7-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18868965

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1'-[(3-methylphenyl)methyl]-2-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The IUPAC name of 7-methyl-1'-[(3-methylphenyl)methyl]-2-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (CID 18869422) is 7-methyl-1'-[(3-methylphenyl)methyl]-2-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.
What is the SMILES notation for 7-methyl-1'-[(3-methylphenyl)methyl]-2-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The canonical SMILES for 7-methyl-1'-[(3-methylphenyl)methyl]-2-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is CCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2C12C(=O)N(Cc1cccc(C)c1)c1ccccc12.
What is the InChIKey of 7-methyl-1'-[(3-methylphenyl)methyl]-2-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The InChIKey is FRNCWLBOEBFVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N2O4/c1-4-14-32-28(34)27-25(26(33)21-16-19(3)12-13-24(21)36-27)30(32)22-10-5-6-11-23(22)31(29(30)35)17-20-9-7-8-18(2)15-20/h5-13,15-16H,4,14,17H2,1-3H3.
What are the key properties of 7-methyl-1'-[(3-methylphenyl)methyl]-2-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
7-methyl-1'-[(3-methylphenyl)methyl]-2-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione has a molecular weight of 478.55 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1'-[(3-methylphenyl)methyl]-2-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is sourced from PubChem (CID 18869422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).