2-[2-(4-methoxyphenyl)-1-methylindol-3-yl]isoindole-1,3-dione

C24H18N2O3 — CID 132607636

IUPAC2-[2-(4-methoxyphenyl)-1-methylindol-3-yl]isoindole-1,3-dione
SMILESCOc1ccc(-c2c(N3C(=O)c4ccccc4C3=O)c3ccccc3n2C)cc1
InChIInChI=1S/C24H18N2O3/c1-25-20-10-6-5-9-19(20)22(21(25)15-11-13-16(29-2)14-12-15)26-23(27)17-7-3-4-8-18(17)24(26)28/h3-14H,1-2H3
InChIKeyOFCVMXHKVHXITN-UHFFFAOYSA-N
MW382.42 g/mol
LogP4.65
Rot. Bonds3

About 2-[2-(4-methoxyphenyl)-1-methylindol-3-yl]isoindole-1,3-dione

2-[2-(4-methoxyphenyl)-1-methylindol-3-yl]isoindole-1,3-dione (PubChem CID 132607636) has the molecular formula C24H18N2O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)-1-methylindol-3-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)-1-methylindol-3-yl]isoindole-1,3-dione
PubChem CID132607636
Molecular FormulaC24H18N2O3
Molecular Weight382.42 g/mol
Exact Mass382.13
IUPAC Name2-[2-(4-methoxyphenyl)-1-methylindol-3-yl]isoindole-1,3-dione
SMILESCOc1ccc(-c2c(N3C(=O)c4ccccc4C3=O)c3ccccc3n2C)cc1
InChIInChI=1S/C24H18N2O3/c1-25-20-10-6-5-9-19(20)22(21(25)15-11-13-16(29-2)14-12-15)26-23(27)17-7-3-4-8-18(17)24(26)28/h3-14H,1-2H3
InChIKeyOFCVMXHKVHXITN-UHFFFAOYSA-N
XLogP4.65
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenyl)-1-methyl-3-nitrosoindole
CID 155676892
2-[4-(4-methoxyphenyl)phenyl]isoindole-1,3-dione
CID 123891314
N-acetyl-N-tert-butyl-2-(4-methoxyphenyl)-1-methylindole-3-carboxamide
CID 102440445
2-(4-hydroxyphenyl)-4-(4-methoxyphenyl)isoquinolin-1-one
CID 144586778
1-(4-methoxyphenyl)-2-phenylindeno[1,2-c]pyrrol-4-one
CID 132598652
8-methoxy-5-methylindeno[2,1-b]quinoline-6,11-dione
CID 122194430
2-butyl-3,4-bis(4-methoxyphenyl)-9-methylpyrido[3,4-b]indol-1-one
CID 135059898
2-[4-[2-(4-methoxyphenyl)ethyl]phenyl]isoindole-1,3-dione
CID 44537911
1,3-difluoro-2-(4-methoxyphenyl)indole
CID 175894161
4-hydroxy-3-[(4-methoxyphenyl)methyl]-1-methylquinolin-2-one
CID 54687716
2-[4-[5-methoxy-2-(4-methoxyphenyl)-3-methylindol-1-yl]butyl]isoindole-1,3-dione
CID 14873552
2-[3-(6-methoxynaphthalen-2-yl)phenyl]isoindole-1,3-dione
CID 168516695

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)-1-methylindol-3-yl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(4-methoxyphenyl)-1-methylindol-3-yl]isoindole-1,3-dione (CID 132607636) is 2-[2-(4-methoxyphenyl)-1-methylindol-3-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)-1-methylindol-3-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(4-methoxyphenyl)-1-methylindol-3-yl]isoindole-1,3-dione is COc1ccc(-c2c(N3C(=O)c4ccccc4C3=O)c3ccccc3n2C)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)-1-methylindol-3-yl]isoindole-1,3-dione?
The InChIKey is OFCVMXHKVHXITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O3/c1-25-20-10-6-5-9-19(20)22(21(25)15-11-13-16(29-2)14-12-15)26-23(27)17-7-3-4-8-18(17)24(26)28/h3-14H,1-2H3.
What are the key properties of 2-[2-(4-methoxyphenyl)-1-methylindol-3-yl]isoindole-1,3-dione?
2-[2-(4-methoxyphenyl)-1-methylindol-3-yl]isoindole-1,3-dione has a molecular weight of 382.42 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)-1-methylindol-3-yl]isoindole-1,3-dione is sourced from PubChem (CID 132607636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).