2-(2,4-diethoxynaphthalen-1-yl)-6-ethylindolizine-3-carbaldehyde

C25H25NO3 — CID 3750994

IUPAC2-(2,4-diethoxynaphthalen-1-yl)-6-ethylindolizine-3-carbaldehyde
SMILESCCOc1cc(OCC)c2ccccc2c1-c1cc2ccc(CC)cn2c1C=O
InChIInChI=1S/C25H25NO3/c1-4-17-11-12-18-13-21(22(16-27)26(18)15-17)25-20-10-8-7-9-19(20)23(28-5-2)14-24(25)29-6-3/h7-16H,4-6H2,1-3H3
InChIKeyJVJADOUHDBXLBN-UHFFFAOYSA-N
MW387.48 g/mol
LogP5.93
Rot. Bonds7

About 2-(2,4-diethoxynaphthalen-1-yl)-6-ethylindolizine-3-carbaldehyde

2-(2,4-diethoxynaphthalen-1-yl)-6-ethylindolizine-3-carbaldehyde (PubChem CID 3750994) has the molecular formula C25H25NO3 and a molecular weight of 387.48 g/mol. Its IUPAC name is 2-(2,4-diethoxynaphthalen-1-yl)-6-ethylindolizine-3-carbaldehyde.

Molecular Properties

Compound Name2-(2,4-diethoxynaphthalen-1-yl)-6-ethylindolizine-3-carbaldehyde
PubChem CID3750994
Molecular FormulaC25H25NO3
Molecular Weight387.48 g/mol
Exact Mass387.18
IUPAC Name2-(2,4-diethoxynaphthalen-1-yl)-6-ethylindolizine-3-carbaldehyde
SMILESCCOc1cc(OCC)c2ccccc2c1-c1cc2ccc(CC)cn2c1C=O
InChIInChI=1S/C25H25NO3/c1-4-17-11-12-18-13-21(22(16-27)26(18)15-17)25-20-10-8-7-9-19(20)23(28-5-2)14-24(25)29-6-3/h7-16H,4-6H2,1-3H3
InChIKeyJVJADOUHDBXLBN-UHFFFAOYSA-N
XLogP5.93
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3,5-ditert-butyl-4-ethoxyphenyl)-6-ethylindolizine-3-carbaldehyde
CID 3773979
2-(4,5-dimethyl-2-phenylmethoxyphenyl)-6-ethylindolizine-3-carbaldehyde
CID 3819347
6-ethyl-2-(4-methoxy-3,5-dimethylphenyl)indolizine-3-carbaldehyde
CID 4314891
6-ethyl-2-(4-methoxy-3-propan-2-ylphenyl)indolizine-3-carbaldehyde
CID 3696408
6-ethyl-2-(3-methyl-4-phenylmethoxyphenyl)indolizine-3-carbaldehyde
CID 3533161
2-(1,2-dihydroacenaphthylen-5-yl)-6-ethylindolizine-3-carbaldehyde
CID 3750993
2-(5-chloro-4-methyl-2-phenylmethoxyphenyl)-6-ethylindolizine-3-carbaldehyde
CID 3652489
6-ethyl-2-pyridin-4-ylindolizine-3-carbaldehyde
CID 3764927
6-ethyl-2-(4-ethylsulfanylphenyl)indolizine-3-carbaldehyde
CID 5104649
2-(2-ethoxy-5-octylphenyl)-6-methylindolizine-3-carbaldehyde
CID 3691811
2-(5-ethyl-2-phenylmethoxyphenyl)indolizine-3-carbaldehyde
CID 3760707
2-(5-butan-2-yl-2-ethoxyphenyl)-6-methylindolizine-3-carbaldehyde
CID 3743969

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-diethoxynaphthalen-1-yl)-6-ethylindolizine-3-carbaldehyde?
The IUPAC name of 2-(2,4-diethoxynaphthalen-1-yl)-6-ethylindolizine-3-carbaldehyde (CID 3750994) is 2-(2,4-diethoxynaphthalen-1-yl)-6-ethylindolizine-3-carbaldehyde.
What is the SMILES notation for 2-(2,4-diethoxynaphthalen-1-yl)-6-ethylindolizine-3-carbaldehyde?
The canonical SMILES for 2-(2,4-diethoxynaphthalen-1-yl)-6-ethylindolizine-3-carbaldehyde is CCOc1cc(OCC)c2ccccc2c1-c1cc2ccc(CC)cn2c1C=O.
What is the InChIKey of 2-(2,4-diethoxynaphthalen-1-yl)-6-ethylindolizine-3-carbaldehyde?
The InChIKey is JVJADOUHDBXLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO3/c1-4-17-11-12-18-13-21(22(16-27)26(18)15-17)25-20-10-8-7-9-19(20)23(28-5-2)14-24(25)29-6-3/h7-16H,4-6H2,1-3H3.
What are the key properties of 2-(2,4-diethoxynaphthalen-1-yl)-6-ethylindolizine-3-carbaldehyde?
2-(2,4-diethoxynaphthalen-1-yl)-6-ethylindolizine-3-carbaldehyde has a molecular weight of 387.48 g/mol, XLogP of 5.93, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-diethoxynaphthalen-1-yl)-6-ethylindolizine-3-carbaldehyde is sourced from PubChem (CID 3750994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).