7-methyl-2-(3-nitro-4-phenylmethoxyphenyl)indolizine-3-carbaldehyde

C23H18N2O4 — CID 3837589

IUPAC7-methyl-2-(3-nitro-4-phenylmethoxyphenyl)indolizine-3-carbaldehyde
SMILESCc1ccn2c(C=O)c(-c3ccc(OCc4ccccc4)c([N+](=O)[O-])c3)cc2c1
InChIInChI=1S/C23H18N2O4/c1-16-9-10-24-19(11-16)13-20(22(24)14-26)18-7-8-23(21(12-18)25(27)28)29-15-17-5-3-2-4-6-17/h2-14H,15H2,1H3
InChIKeyMOYYBCWYCYZGMD-UHFFFAOYSA-N
MW386.41 g/mol
LogP5.21
Rot. Bonds6

About 7-methyl-2-(3-nitro-4-phenylmethoxyphenyl)indolizine-3-carbaldehyde

7-methyl-2-(3-nitro-4-phenylmethoxyphenyl)indolizine-3-carbaldehyde (PubChem CID 3837589) has the molecular formula C23H18N2O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is 7-methyl-2-(3-nitro-4-phenylmethoxyphenyl)indolizine-3-carbaldehyde.

Molecular Properties

Compound Name7-methyl-2-(3-nitro-4-phenylmethoxyphenyl)indolizine-3-carbaldehyde
PubChem CID3837589
Molecular FormulaC23H18N2O4
Molecular Weight386.41 g/mol
Exact Mass386.13
IUPAC Name7-methyl-2-(3-nitro-4-phenylmethoxyphenyl)indolizine-3-carbaldehyde
SMILESCc1ccn2c(C=O)c(-c3ccc(OCc4ccccc4)c([N+](=O)[O-])c3)cc2c1
InChIInChI=1S/C23H18N2O4/c1-16-9-10-24-19(11-16)13-20(22(24)14-26)18-7-8-23(21(12-18)25(27)28)29-15-17-5-3-2-4-6-17/h2-14H,15H2,1H3
InChIKeyMOYYBCWYCYZGMD-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'}

Analyze 7-methyl-2-(3-nitro-4-phenylmethoxyphenyl)indolizine-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-methyl-2-(5-methyl-3-nitro-2-phenylmethoxyphenyl)indolizine-3-carbaldehyde
CID 3493847
2-(3-tert-butyl-4-phenylmethoxyphenyl)indolizine-3-carbaldehyde
CID 3817177
6-methyl-2-(5-nitro-2-phenylmethoxyphenyl)indolizine-3-carbaldehyde
CID 3580229
2-(4-ethylphenyl)-7-methylindolizine-3-carbaldehyde
CID 3821498
2-(3-chloro-4-methoxyphenyl)-7-methylindolizine-3-carbaldehyde
CID 3697846
6-ethyl-2-(3-methyl-4-phenylmethoxyphenyl)indolizine-3-carbaldehyde
CID 3533161
2-(4-ethylsulfonylphenyl)-7-methylindolizine-3-carbaldehyde
CID 4220459
2-(3-chloro-4-phenylmethoxyphenyl)-8-methylindolizine-3-carbaldehyde
CID 3697340
2-(4-methoxyphenyl)-7-methylindolizine-3-carbaldehyde
CID 3786843
2-(5-ethyl-2-phenylmethoxyphenyl)indolizine-3-carbaldehyde
CID 3760707
6-methyl-2-(2-phenylmethoxyphenyl)indolizine-3-carbaldehyde
CID 4254020
4-bromo-2-nitro-1-phenylmethoxybenzene
CID 11278242

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(3-nitro-4-phenylmethoxyphenyl)indolizine-3-carbaldehyde?
The IUPAC name of 7-methyl-2-(3-nitro-4-phenylmethoxyphenyl)indolizine-3-carbaldehyde (CID 3837589) is 7-methyl-2-(3-nitro-4-phenylmethoxyphenyl)indolizine-3-carbaldehyde.
What is the SMILES notation for 7-methyl-2-(3-nitro-4-phenylmethoxyphenyl)indolizine-3-carbaldehyde?
The canonical SMILES for 7-methyl-2-(3-nitro-4-phenylmethoxyphenyl)indolizine-3-carbaldehyde is Cc1ccn2c(C=O)c(-c3ccc(OCc4ccccc4)c([N+](=O)[O-])c3)cc2c1.
What is the InChIKey of 7-methyl-2-(3-nitro-4-phenylmethoxyphenyl)indolizine-3-carbaldehyde?
The InChIKey is MOYYBCWYCYZGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O4/c1-16-9-10-24-19(11-16)13-20(22(24)14-26)18-7-8-23(21(12-18)25(27)28)29-15-17-5-3-2-4-6-17/h2-14H,15H2,1H3.
What are the key properties of 7-methyl-2-(3-nitro-4-phenylmethoxyphenyl)indolizine-3-carbaldehyde?
7-methyl-2-(3-nitro-4-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 7-methyl-2-(3-nitro-4-phenylmethoxyphenyl)indolizine-3-carbaldehyde is sourced from PubChem (CID 3837589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).