ethyl 6-(3,4-dimethoxyphenyl)indolizino[3,2-c]quinoline-12-carboxylate

C26H22N2O4 — CID 118970863

IUPACethyl 6-(3,4-dimethoxyphenyl)indolizino[3,2-c]quinoline-12-carboxylate
SMILESCCOC(=O)c1c2c3ccccc3nc(-c3ccc(OC)c(OC)c3)c2n2ccccc12
InChIInChI=1S/C26H22N2O4/c1-4-32-26(29)23-19-11-7-8-14-28(19)25-22(23)17-9-5-6-10-18(17)27-24(25)16-12-13-20(30-2)21(15-16)31-3/h5-15H,4H2,1-3H3
InChIKeyPNDMBPZHTAYIJL-UHFFFAOYSA-N
MW426.47 g/mol
LogP5.50
Rot. Bonds5

About ethyl 6-(3,4-dimethoxyphenyl)indolizino[3,2-c]quinoline-12-carboxylate

ethyl 6-(3,4-dimethoxyphenyl)indolizino[3,2-c]quinoline-12-carboxylate (PubChem CID 118970863) has the molecular formula C26H22N2O4 and a molecular weight of 426.47 g/mol. Its IUPAC name is ethyl 6-(3,4-dimethoxyphenyl)indolizino[3,2-c]quinoline-12-carboxylate.

Molecular Properties

Compound Nameethyl 6-(3,4-dimethoxyphenyl)indolizino[3,2-c]quinoline-12-carboxylate
PubChem CID118970863
Molecular FormulaC26H22N2O4
Molecular Weight426.47 g/mol
Exact Mass426.16
IUPAC Nameethyl 6-(3,4-dimethoxyphenyl)indolizino[3,2-c]quinoline-12-carboxylate
SMILESCCOC(=O)c1c2c3ccccc3nc(-c3ccc(OC)c(OC)c3)c2n2ccccc12
InChIInChI=1S/C26H22N2O4/c1-4-32-26(29)23-19-11-7-8-14-28(19)25-22(23)17-9-5-6-10-18(17)27-24(25)16-12-13-20(30-2)21(15-16)31-3/h5-15H,4H2,1-3H3
InChIKeyPNDMBPZHTAYIJL-UHFFFAOYSA-N
XLogP5.50
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.47
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-(3,4-dimethoxyphenyl)indolizino[3,2-c]quinoline-12-carboxylate?
The IUPAC name of ethyl 6-(3,4-dimethoxyphenyl)indolizino[3,2-c]quinoline-12-carboxylate (CID 118970863) is ethyl 6-(3,4-dimethoxyphenyl)indolizino[3,2-c]quinoline-12-carboxylate.
What is the SMILES notation for ethyl 6-(3,4-dimethoxyphenyl)indolizino[3,2-c]quinoline-12-carboxylate?
The canonical SMILES for ethyl 6-(3,4-dimethoxyphenyl)indolizino[3,2-c]quinoline-12-carboxylate is CCOC(=O)c1c2c3ccccc3nc(-c3ccc(OC)c(OC)c3)c2n2ccccc12.
What is the InChIKey of ethyl 6-(3,4-dimethoxyphenyl)indolizino[3,2-c]quinoline-12-carboxylate?
The InChIKey is PNDMBPZHTAYIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O4/c1-4-32-26(29)23-19-11-7-8-14-28(19)25-22(23)17-9-5-6-10-18(17)27-24(25)16-12-13-20(30-2)21(15-16)31-3/h5-15H,4H2,1-3H3.
What are the key properties of ethyl 6-(3,4-dimethoxyphenyl)indolizino[3,2-c]quinoline-12-carboxylate?
ethyl 6-(3,4-dimethoxyphenyl)indolizino[3,2-c]quinoline-12-carboxylate has a molecular weight of 426.47 g/mol, XLogP of 5.50, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(3,4-dimethoxyphenyl)indolizino[3,2-c]quinoline-12-carboxylate is sourced from PubChem (CID 118970863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).