ethyl 3-(3,4,5-trimethoxybenzoyl)naphtho[2,1-e]indolizine-1-carboxylate

C29H25NO6 — CID 168677969

IUPACethyl 3-(3,4,5-trimethoxybenzoyl)naphtho[2,1-e]indolizine-1-carboxylate
SMILESCCOC(=O)c1cc(C(=O)c2cc(OC)c(OC)c(OC)c2)n2c1ccc1c3ccccc3ccc12
InChIInChI=1S/C29H25NO6/c1-5-36-29(32)21-16-24(27(31)18-14-25(33-2)28(35-4)26(15-18)34-3)30-22-12-10-17-8-6-7-9-19(17)20(22)11-13-23(21)30/h6-16H,5H2,1-4H3
InChIKeyWGXQNRIZGPEMCT-UHFFFAOYSA-N
MW483.52 g/mol
LogP5.68
Rot. Bonds7

About ethyl 3-(3,4,5-trimethoxybenzoyl)naphtho[2,1-e]indolizine-1-carboxylate

ethyl 3-(3,4,5-trimethoxybenzoyl)naphtho[2,1-e]indolizine-1-carboxylate (PubChem CID 168677969) has the molecular formula C29H25NO6 and a molecular weight of 483.52 g/mol. Its IUPAC name is ethyl 3-(3,4,5-trimethoxybenzoyl)naphtho[2,1-e]indolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(3,4,5-trimethoxybenzoyl)naphtho[2,1-e]indolizine-1-carboxylate
PubChem CID168677969
Molecular FormulaC29H25NO6
Molecular Weight483.52 g/mol
Exact Mass483.17
IUPAC Nameethyl 3-(3,4,5-trimethoxybenzoyl)naphtho[2,1-e]indolizine-1-carboxylate
SMILESCCOC(=O)c1cc(C(=O)c2cc(OC)c(OC)c(OC)c2)n2c1ccc1c3ccccc3ccc12
InChIInChI=1S/C29H25NO6/c1-5-36-29(32)21-16-24(27(31)18-14-25(33-2)28(35-4)26(15-18)34-3)30-22-12-10-17-8-6-7-9-19(17)20(22)11-13-23(21)30/h6-16H,5H2,1-4H3
InChIKeyWGXQNRIZGPEMCT-UHFFFAOYSA-N
XLogP5.68
TPSA75.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.52
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze ethyl 3-(3,4,5-trimethoxybenzoyl)naphtho[2,1-e]indolizine-1-carboxylate 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

ethyl 7-methoxy-1-(naphthalene-2-carbonyl)pyrrolo[1,2-a]quinoline-3-carboxylate
CID 4188647
ethyl 1-(4-bromobenzoyl)pyrrolo[1,2-a]quinoline-3-carboxylate
CID 980306
ethyl 7-methoxy-1-(4-phenylbenzoyl)pyrrolo[1,2-a]quinoline-3-carboxylate
CID 45051074
ethyl 7-benzoyl-3-(3,4,5-trimethoxyphenyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate
CID 4280668
1-[3-(3,4,5-trimethoxybenzoyl)pyrrolo[2,1-a]isoquinolin-1-yl]ethanone
CID 171714424
ethyl 1-(4-fluorobenzoyl)-7-methylpyrrolo[1,2-a]quinoline-3-carboxylate
CID 988020
ethyl 5-methyl-1-(4-nitrobenzoyl)pyrrolo[1,2-a]quinoline-3-carboxylate
CID 4195476
ethyl 11-(4-fluorobenzoyl)pyrrolo[1,2-a][1,10]phenanthroline-9-carboxylate
CID 5215884
ethyl 5-methyl-1-(3-nitrobenzoyl)pyrrolo[1,2-a]quinoline-3-carboxylate
CID 4072689
ethyl 3-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]indolizine-1-carboxylate
CID 127043507
ethyl chrysene-1-carboxylate
CID 86251232
(1,5-dimethylindol-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 71028644

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3,4,5-trimethoxybenzoyl)naphtho[2,1-e]indolizine-1-carboxylate?
The IUPAC name of ethyl 3-(3,4,5-trimethoxybenzoyl)naphtho[2,1-e]indolizine-1-carboxylate (CID 168677969) is ethyl 3-(3,4,5-trimethoxybenzoyl)naphtho[2,1-e]indolizine-1-carboxylate.
What is the SMILES notation for ethyl 3-(3,4,5-trimethoxybenzoyl)naphtho[2,1-e]indolizine-1-carboxylate?
The canonical SMILES for ethyl 3-(3,4,5-trimethoxybenzoyl)naphtho[2,1-e]indolizine-1-carboxylate is CCOC(=O)c1cc(C(=O)c2cc(OC)c(OC)c(OC)c2)n2c1ccc1c3ccccc3ccc12.
What is the InChIKey of ethyl 3-(3,4,5-trimethoxybenzoyl)naphtho[2,1-e]indolizine-1-carboxylate?
The InChIKey is WGXQNRIZGPEMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25NO6/c1-5-36-29(32)21-16-24(27(31)18-14-25(33-2)28(35-4)26(15-18)34-3)30-22-12-10-17-8-6-7-9-19(17)20(22)11-13-23(21)30/h6-16H,5H2,1-4H3.
What are the key properties of ethyl 3-(3,4,5-trimethoxybenzoyl)naphtho[2,1-e]indolizine-1-carboxylate?
ethyl 3-(3,4,5-trimethoxybenzoyl)naphtho[2,1-e]indolizine-1-carboxylate has a molecular weight of 483.52 g/mol, XLogP of 5.68, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3,4,5-trimethoxybenzoyl)naphtho[2,1-e]indolizine-1-carboxylate is sourced from PubChem (CID 168677969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).