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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Related Compounds

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CID 13141156
13-[2-(Dimethylamino)ethyl]-2,3-dimethoxybenzo[h][1,3]benzodioxolo[5,6-c][2,6]naphthyridin-12(13H)-one
CID 22256570
Methyl 1-(3,4-dimethoxybenzoyl)indole-3-carboxylate
CID 703705
Ethyl 4-(methoxymethyl)-9-methyl-6-(naphthalen-1-ylmethoxy)pyrido[3,4-b]indole-3-carboxylate
CID 11797989
4-(6,7-Dimethoxy-quinolin-3-yl)-benzoic acid ethyl ester
CID 10042684
1-[1-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]indol-5-yl]ethanone
CID 56640863
1-[2-(2-Methoxy-phenoxy)-ethyl]-1H-indole-3-carboxylic acid methyl ester
CID 952043
3-Ethyl 6-methyl 4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}quinoline-3,6-dicarboxylate
CID 992358
Ethyl 4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-6-methylquinoline-3-carboxylate
CID 1190555
Ethyl 4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-6-methoxyquinoline-3-carboxylate
CID 1190602
Methyl 2-(1-(3,4-dimethoxyphenyl)-8,9-dimethoxy-2-phenylpyrrolo[2,1-a]isoquinolin-3-yl)-2-oxoacetate
CID 4964986
2-Methoxyethyl 2-(1-(3,4-dimethoxyphenyl)-8,9-dimethoxy-2-phenylpyrrolo[2,1-a]isoquinolin-3-yl)-2-oxoacetate
CID 4968138

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).