2-(4-bromophenyl)-3-(2-methyl-1H-indol-3-yl)-1H-chromeno[4,3-b]pyrrol-4-one

C26H17BrN2O2 — CID 177425593

IUPAC2-(4-bromophenyl)-3-(2-methyl-1H-indol-3-yl)-1H-chromeno[4,3-b]pyrrol-4-one
SMILESCc1[nH]c2ccccc2c1-c1c(-c2ccc(Br)cc2)[nH]c2c1c(=O)oc1ccccc12
InChIInChI=1S/C26H17BrN2O2/c1-14-21(17-6-2-4-8-19(17)28-14)22-23-25(18-7-3-5-9-20(18)31-26(23)30)29-24(22)15-10-12-16(27)13-11-15/h2-13,28-29H,1H3
InChIKeyFMGWGAIKMQSNNJ-UHFFFAOYSA-N
MW469.34 g/mol
LogP7.16
Rot. Bonds2

About 2-(4-bromophenyl)-3-(2-methyl-1H-indol-3-yl)-1H-chromeno[4,3-b]pyrrol-4-one

2-(4-bromophenyl)-3-(2-methyl-1H-indol-3-yl)-1H-chromeno[4,3-b]pyrrol-4-one (PubChem CID 177425593) has the molecular formula C26H17BrN2O2 and a molecular weight of 469.34 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3-(2-methyl-1H-indol-3-yl)-1H-chromeno[4,3-b]pyrrol-4-one.

Molecular Properties

Compound Name2-(4-bromophenyl)-3-(2-methyl-1H-indol-3-yl)-1H-chromeno[4,3-b]pyrrol-4-one
PubChem CID177425593
Molecular FormulaC26H17BrN2O2
Molecular Weight469.34 g/mol
Exact Mass468.05
IUPAC Name2-(4-bromophenyl)-3-(2-methyl-1H-indol-3-yl)-1H-chromeno[4,3-b]pyrrol-4-one
SMILESCc1[nH]c2ccccc2c1-c1c(-c2ccc(Br)cc2)[nH]c2c1c(=O)oc1ccccc12
InChIInChI=1S/C26H17BrN2O2/c1-14-21(17-6-2-4-8-19(17)28-14)22-23-25(18-7-3-5-9-20(18)31-26(23)30)29-24(22)15-10-12-16(27)13-11-15/h2-13,28-29H,1H3
InChIKeyFMGWGAIKMQSNNJ-UHFFFAOYSA-N
XLogP7.16
TPSA61.79 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.34
LogP ≤ 57.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3-(2-methyl-1H-indol-3-yl)-1H-chromeno[4,3-b]pyrrol-4-one?
The IUPAC name of 2-(4-bromophenyl)-3-(2-methyl-1H-indol-3-yl)-1H-chromeno[4,3-b]pyrrol-4-one (CID 177425593) is 2-(4-bromophenyl)-3-(2-methyl-1H-indol-3-yl)-1H-chromeno[4,3-b]pyrrol-4-one.
What is the SMILES notation for 2-(4-bromophenyl)-3-(2-methyl-1H-indol-3-yl)-1H-chromeno[4,3-b]pyrrol-4-one?
The canonical SMILES for 2-(4-bromophenyl)-3-(2-methyl-1H-indol-3-yl)-1H-chromeno[4,3-b]pyrrol-4-one is Cc1[nH]c2ccccc2c1-c1c(-c2ccc(Br)cc2)[nH]c2c1c(=O)oc1ccccc12.
What is the InChIKey of 2-(4-bromophenyl)-3-(2-methyl-1H-indol-3-yl)-1H-chromeno[4,3-b]pyrrol-4-one?
The InChIKey is FMGWGAIKMQSNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17BrN2O2/c1-14-21(17-6-2-4-8-19(17)28-14)22-23-25(18-7-3-5-9-20(18)31-26(23)30)29-24(22)15-10-12-16(27)13-11-15/h2-13,28-29H,1H3.
What are the key properties of 2-(4-bromophenyl)-3-(2-methyl-1H-indol-3-yl)-1H-chromeno[4,3-b]pyrrol-4-one?
2-(4-bromophenyl)-3-(2-methyl-1H-indol-3-yl)-1H-chromeno[4,3-b]pyrrol-4-one has a molecular weight of 469.34 g/mol, XLogP of 7.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-3-(2-methyl-1H-indol-3-yl)-1H-chromeno[4,3-b]pyrrol-4-one is sourced from PubChem (CID 177425593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).