8-chloro-4-(2-chlorophenyl)-6-methyl-1,3-dioxopyrrolo[3,4-e]indole-7-carbaldehyde

C18H10Cl2N2O3 — CID 11552493

IUPAC8-chloro-4-(2-chlorophenyl)-6-methyl-1,3-dioxopyrrolo[3,4-e]indole-7-carbaldehyde
SMILESCn1c(C=O)c(Cl)c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O
InChIInChI=1S/C18H10Cl2N2O3/c1-22-11-6-9(8-4-2-3-5-10(8)19)13-15(18(25)21-17(13)24)14(11)16(20)12(22)7-23/h2-7H,1H3,(H,21,24,25)
InChIKeyJCDXAVNNZRDMKT-UHFFFAOYSA-N
MW373.20 g/mol
LogP3.85
Rot. Bonds2

About 8-chloro-4-(2-chlorophenyl)-6-methyl-1,3-dioxopyrrolo[3,4-e]indole-7-carbaldehyde

8-chloro-4-(2-chlorophenyl)-6-methyl-1,3-dioxopyrrolo[3,4-e]indole-7-carbaldehyde (PubChem CID 11552493) has the molecular formula C18H10Cl2N2O3 and a molecular weight of 373.20 g/mol. Its IUPAC name is 8-chloro-4-(2-chlorophenyl)-6-methyl-1,3-dioxopyrrolo[3,4-e]indole-7-carbaldehyde.

Molecular Properties

Compound Name8-chloro-4-(2-chlorophenyl)-6-methyl-1,3-dioxopyrrolo[3,4-e]indole-7-carbaldehyde
PubChem CID11552493
Molecular FormulaC18H10Cl2N2O3
Molecular Weight373.20 g/mol
Exact Mass372.01
IUPAC Name8-chloro-4-(2-chlorophenyl)-6-methyl-1,3-dioxopyrrolo[3,4-e]indole-7-carbaldehyde
SMILESCn1c(C=O)c(Cl)c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O
InChIInChI=1S/C18H10Cl2N2O3/c1-22-11-6-9(8-4-2-3-5-10(8)19)13-15(18(25)21-17(13)24)14(11)16(20)12(22)7-23/h2-7H,1H3,(H,21,24,25)
InChIKeyJCDXAVNNZRDMKT-UHFFFAOYSA-N
XLogP3.85
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.20
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-(2-chlorophenyl)-6-methyl-1,3-dioxopyrrolo[3,4-e]indole-7-carbaldehyde?
The IUPAC name of 8-chloro-4-(2-chlorophenyl)-6-methyl-1,3-dioxopyrrolo[3,4-e]indole-7-carbaldehyde (CID 11552493) is 8-chloro-4-(2-chlorophenyl)-6-methyl-1,3-dioxopyrrolo[3,4-e]indole-7-carbaldehyde.
What is the SMILES notation for 8-chloro-4-(2-chlorophenyl)-6-methyl-1,3-dioxopyrrolo[3,4-e]indole-7-carbaldehyde?
The canonical SMILES for 8-chloro-4-(2-chlorophenyl)-6-methyl-1,3-dioxopyrrolo[3,4-e]indole-7-carbaldehyde is Cn1c(C=O)c(Cl)c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O.
What is the InChIKey of 8-chloro-4-(2-chlorophenyl)-6-methyl-1,3-dioxopyrrolo[3,4-e]indole-7-carbaldehyde?
The InChIKey is JCDXAVNNZRDMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl2N2O3/c1-22-11-6-9(8-4-2-3-5-10(8)19)13-15(18(25)21-17(13)24)14(11)16(20)12(22)7-23/h2-7H,1H3,(H,21,24,25).
What are the key properties of 8-chloro-4-(2-chlorophenyl)-6-methyl-1,3-dioxopyrrolo[3,4-e]indole-7-carbaldehyde?
8-chloro-4-(2-chlorophenyl)-6-methyl-1,3-dioxopyrrolo[3,4-e]indole-7-carbaldehyde has a molecular weight of 373.20 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-(2-chlorophenyl)-6-methyl-1,3-dioxopyrrolo[3,4-e]indole-7-carbaldehyde is sourced from PubChem (CID 11552493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).