6-methyl-2-(5-nitro-2-phenylmethoxyphenyl)indolizine-3-carbaldehyde

C23H18N2O4 — CID 3580229

IUPAC6-methyl-2-(5-nitro-2-phenylmethoxyphenyl)indolizine-3-carbaldehyde
SMILESCc1ccc2cc(-c3cc([N+](=O)[O-])ccc3OCc3ccccc3)c(C=O)n2c1
InChIInChI=1S/C23H18N2O4/c1-16-7-8-18-11-20(22(14-26)24(18)13-16)21-12-19(25(27)28)9-10-23(21)29-15-17-5-3-2-4-6-17/h2-14H,15H2,1H3
InChIKeyGOZOEBRGGCVEKZ-UHFFFAOYSA-N
MW386.41 g/mol
LogP5.21
Rot. Bonds6

About 6-methyl-2-(5-nitro-2-phenylmethoxyphenyl)indolizine-3-carbaldehyde

6-methyl-2-(5-nitro-2-phenylmethoxyphenyl)indolizine-3-carbaldehyde (PubChem CID 3580229) has the molecular formula C23H18N2O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is 6-methyl-2-(5-nitro-2-phenylmethoxyphenyl)indolizine-3-carbaldehyde.

Molecular Properties

Compound Name6-methyl-2-(5-nitro-2-phenylmethoxyphenyl)indolizine-3-carbaldehyde
PubChem CID3580229
Molecular FormulaC23H18N2O4
Molecular Weight386.41 g/mol
Exact Mass386.13
IUPAC Name6-methyl-2-(5-nitro-2-phenylmethoxyphenyl)indolizine-3-carbaldehyde
SMILESCc1ccc2cc(-c3cc([N+](=O)[O-])ccc3OCc3ccccc3)c(C=O)n2c1
InChIInChI=1S/C23H18N2O4/c1-16-7-8-18-11-20(22(14-26)24(18)13-16)21-12-19(25(27)28)9-10-23(21)29-15-17-5-3-2-4-6-17/h2-14H,15H2,1H3
InChIKeyGOZOEBRGGCVEKZ-UHFFFAOYSA-N
XLogP5.21
TPSA73.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.41
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-methyl-2-(2-phenylmethoxyphenyl)indolizine-3-carbaldehyde
CID 4254020
2-(2-chloro-4-phenylmethoxyphenyl)-6-methylindolizine-3-carbaldehyde
CID 3768447
2-(4,5-dimethyl-2-phenylmethoxyphenyl)-6-ethylindolizine-3-carbaldehyde
CID 3819347
7-methyl-2-(3-nitro-4-phenylmethoxyphenyl)indolizine-3-carbaldehyde
CID 3837589
2-(5-ethyl-2-phenylmethoxyphenyl)indolizine-3-carbaldehyde
CID 3760707
2-(5-chloro-4-methyl-2-phenylmethoxyphenyl)-6-ethylindolizine-3-carbaldehyde
CID 3652489
6-ethyl-2-(3-methyl-4-phenylmethoxyphenyl)indolizine-3-carbaldehyde
CID 3533161
2-(2-phenylmethoxy-5-propan-2-ylphenyl)indolizine-3-carbaldehyde
CID 3828303
2-(5-butan-2-yl-2-ethoxyphenyl)-6-methylindolizine-3-carbaldehyde
CID 3743969
2-(2-ethoxy-5-octylphenyl)-6-methylindolizine-3-carbaldehyde
CID 3691811
7-methyl-2-(5-methyl-3-nitro-2-phenylmethoxyphenyl)indolizine-3-carbaldehyde
CID 3493847
5-methyl-2-phenylmethoxybenzaldehyde
CID 1247883

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(5-nitro-2-phenylmethoxyphenyl)indolizine-3-carbaldehyde?
The IUPAC name of 6-methyl-2-(5-nitro-2-phenylmethoxyphenyl)indolizine-3-carbaldehyde (CID 3580229) is 6-methyl-2-(5-nitro-2-phenylmethoxyphenyl)indolizine-3-carbaldehyde.
What is the SMILES notation for 6-methyl-2-(5-nitro-2-phenylmethoxyphenyl)indolizine-3-carbaldehyde?
The canonical SMILES for 6-methyl-2-(5-nitro-2-phenylmethoxyphenyl)indolizine-3-carbaldehyde is Cc1ccc2cc(-c3cc([N+](=O)[O-])ccc3OCc3ccccc3)c(C=O)n2c1.
What is the InChIKey of 6-methyl-2-(5-nitro-2-phenylmethoxyphenyl)indolizine-3-carbaldehyde?
The InChIKey is GOZOEBRGGCVEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O4/c1-16-7-8-18-11-20(22(14-26)24(18)13-16)21-12-19(25(27)28)9-10-23(21)29-15-17-5-3-2-4-6-17/h2-14H,15H2,1H3.
What are the key properties of 6-methyl-2-(5-nitro-2-phenylmethoxyphenyl)indolizine-3-carbaldehyde?
6-methyl-2-(5-nitro-2-phenylmethoxyphenyl)indolizine-3-carbaldehyde has a molecular weight of 386.41 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(5-nitro-2-phenylmethoxyphenyl)indolizine-3-carbaldehyde is sourced from PubChem (CID 3580229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).