1-(4-chlorophenyl)-8-methyl-2-phenylindolizine-3-carbaldehyde

C22H16ClNO — CID 177256629

IUPAC1-(4-chlorophenyl)-8-methyl-2-phenylindolizine-3-carbaldehyde
SMILESCc1cccn2c(C=O)c(-c3ccccc3)c(-c3ccc(Cl)cc3)c12
InChIInChI=1S/C22H16ClNO/c1-15-6-5-13-24-19(14-25)20(16-7-3-2-4-8-16)21(22(15)24)17-9-11-18(23)12-10-17/h2-14H,1H3
InChIKeySCJSTLRVQGKBMX-UHFFFAOYSA-N
MW345.83 g/mol
LogP6.05
Rot. Bonds3

About 1-(4-chlorophenyl)-8-methyl-2-phenylindolizine-3-carbaldehyde

1-(4-chlorophenyl)-8-methyl-2-phenylindolizine-3-carbaldehyde (PubChem CID 177256629) has the molecular formula C22H16ClNO and a molecular weight of 345.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-8-methyl-2-phenylindolizine-3-carbaldehyde.

Molecular Properties

Compound Name1-(4-chlorophenyl)-8-methyl-2-phenylindolizine-3-carbaldehyde
PubChem CID177256629
Molecular FormulaC22H16ClNO
Molecular Weight345.83 g/mol
Exact Mass345.09
IUPAC Name1-(4-chlorophenyl)-8-methyl-2-phenylindolizine-3-carbaldehyde
SMILESCc1cccn2c(C=O)c(-c3ccccc3)c(-c3ccc(Cl)cc3)c12
InChIInChI=1S/C22H16ClNO/c1-15-6-5-13-24-19(14-25)20(16-7-3-2-4-8-16)21(22(15)24)17-9-11-18(23)12-10-17/h2-14H,1H3
InChIKeySCJSTLRVQGKBMX-UHFFFAOYSA-N
XLogP6.05
TPSA21.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.83
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-8-methyl-2-phenylindolizine-3-carbaldehyde?
The IUPAC name of 1-(4-chlorophenyl)-8-methyl-2-phenylindolizine-3-carbaldehyde (CID 177256629) is 1-(4-chlorophenyl)-8-methyl-2-phenylindolizine-3-carbaldehyde.
What is the SMILES notation for 1-(4-chlorophenyl)-8-methyl-2-phenylindolizine-3-carbaldehyde?
The canonical SMILES for 1-(4-chlorophenyl)-8-methyl-2-phenylindolizine-3-carbaldehyde is Cc1cccn2c(C=O)c(-c3ccccc3)c(-c3ccc(Cl)cc3)c12.
What is the InChIKey of 1-(4-chlorophenyl)-8-methyl-2-phenylindolizine-3-carbaldehyde?
The InChIKey is SCJSTLRVQGKBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClNO/c1-15-6-5-13-24-19(14-25)20(16-7-3-2-4-8-16)21(22(15)24)17-9-11-18(23)12-10-17/h2-14H,1H3.
What are the key properties of 1-(4-chlorophenyl)-8-methyl-2-phenylindolizine-3-carbaldehyde?
1-(4-chlorophenyl)-8-methyl-2-phenylindolizine-3-carbaldehyde has a molecular weight of 345.83 g/mol, XLogP of 6.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-8-methyl-2-phenylindolizine-3-carbaldehyde is sourced from PubChem (CID 177256629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).