2-(4-methoxynaphthalen-1-yl)-8-methylindolizine-3-carbaldehyde

C21H17NO2 — CID 3805664

IUPAC2-(4-methoxynaphthalen-1-yl)-8-methylindolizine-3-carbaldehyde
SMILESCOc1ccc(-c2cc3c(C)cccn3c2C=O)c2ccccc12
InChIInChI=1S/C21H17NO2/c1-14-6-5-11-22-19(14)12-18(20(22)13-23)16-9-10-21(24-2)17-8-4-3-7-15(16)17/h3-13H,1-2H3
InChIKeyDPDKGLLMWBZVHG-UHFFFAOYSA-N
MW315.37 g/mol
LogP4.89
Rot. Bonds3

About 2-(4-methoxynaphthalen-1-yl)-8-methylindolizine-3-carbaldehyde

2-(4-methoxynaphthalen-1-yl)-8-methylindolizine-3-carbaldehyde (PubChem CID 3805664) has the molecular formula C21H17NO2 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-(4-methoxynaphthalen-1-yl)-8-methylindolizine-3-carbaldehyde.

Molecular Properties

Compound Name2-(4-methoxynaphthalen-1-yl)-8-methylindolizine-3-carbaldehyde
PubChem CID3805664
Molecular FormulaC21H17NO2
Molecular Weight315.37 g/mol
Exact Mass315.13
IUPAC Name2-(4-methoxynaphthalen-1-yl)-8-methylindolizine-3-carbaldehyde
SMILESCOc1ccc(-c2cc3c(C)cccn3c2C=O)c2ccccc12
InChIInChI=1S/C21H17NO2/c1-14-6-5-11-22-19(14)12-18(20(22)13-23)16-9-10-21(24-2)17-8-4-3-7-15(16)17/h3-13H,1-2H3
InChIKeyDPDKGLLMWBZVHG-UHFFFAOYSA-N
XLogP4.89
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-methyl-2-(4-phenylphenyl)indolizine-3-carbaldehyde
CID 3837530
2-(2-ethoxy-5-propan-2-ylphenyl)-8-methylindolizine-3-carbaldehyde
CID 3590474
2-(2,5-dimethylthiophen-3-yl)-8-methylindolizine-3-carbaldehyde
CID 3613512
8-methyl-2-(2,4,6-trimethylphenyl)indolizine-3-carbaldehyde
CID 3451142
2-(3,5-dimethyl-4-phenylmethoxyphenyl)-8-methylindolizine-3-carbaldehyde
CID 3796993
2-(4-fluorophenyl)-8-methylindolizine-3-carbaldehyde
CID 3552647
2-(4-tert-butylphenyl)-8-methylindolizine-3-carbaldehyde
CID 3836029
2-(5-butan-2-yl-2-phenylmethoxyphenyl)-8-methylindolizine-3-carbaldehyde
CID 3719157
2-(3-chloro-4-phenylmethoxyphenyl)-8-methylindolizine-3-carbaldehyde
CID 3697340
8-methyl-2-(5-methyl-2-methylsulfonylphenyl)indolizine-3-carbaldehyde
CID 3691812
2-(3-butan-2-yl-4-ethoxyphenyl)-8-methylindolizine-3-carbaldehyde
CID 5195486
2-(2-benzylsulfanyl-5-chlorophenyl)-8-methylindolizine-3-carbaldehyde
CID 3734049

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxynaphthalen-1-yl)-8-methylindolizine-3-carbaldehyde?
The IUPAC name of 2-(4-methoxynaphthalen-1-yl)-8-methylindolizine-3-carbaldehyde (CID 3805664) is 2-(4-methoxynaphthalen-1-yl)-8-methylindolizine-3-carbaldehyde.
What is the SMILES notation for 2-(4-methoxynaphthalen-1-yl)-8-methylindolizine-3-carbaldehyde?
The canonical SMILES for 2-(4-methoxynaphthalen-1-yl)-8-methylindolizine-3-carbaldehyde is COc1ccc(-c2cc3c(C)cccn3c2C=O)c2ccccc12.
What is the InChIKey of 2-(4-methoxynaphthalen-1-yl)-8-methylindolizine-3-carbaldehyde?
The InChIKey is DPDKGLLMWBZVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO2/c1-14-6-5-11-22-19(14)12-18(20(22)13-23)16-9-10-21(24-2)17-8-4-3-7-15(16)17/h3-13H,1-2H3.
What are the key properties of 2-(4-methoxynaphthalen-1-yl)-8-methylindolizine-3-carbaldehyde?
2-(4-methoxynaphthalen-1-yl)-8-methylindolizine-3-carbaldehyde has a molecular weight of 315.37 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxynaphthalen-1-yl)-8-methylindolizine-3-carbaldehyde is sourced from PubChem (CID 3805664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).