ethyl 4-(4-acetylanilino)-8-methylquinoline-3-carboxylate

C21H20N2O3 — CID 705510

IUPACethyl 4-(4-acetylanilino)-8-methylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(C)cccc2c1Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C21H20N2O3/c1-4-26-21(25)18-12-22-19-13(2)6-5-7-17(19)20(18)23-16-10-8-15(9-11-16)14(3)24/h5-12H,4H2,1-3H3,(H,22,23)
InChIKeyINBPMTNLYMLYAC-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.67
Rot. Bonds5

About ethyl 4-(4-acetylanilino)-8-methylquinoline-3-carboxylate

ethyl 4-(4-acetylanilino)-8-methylquinoline-3-carboxylate (PubChem CID 705510) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is ethyl 4-(4-acetylanilino)-8-methylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-acetylanilino)-8-methylquinoline-3-carboxylate
PubChem CID705510
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Nameethyl 4-(4-acetylanilino)-8-methylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(C)cccc2c1Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C21H20N2O3/c1-4-26-21(25)18-12-22-19-13(2)6-5-7-17(19)20(18)23-16-10-8-15(9-11-16)14(3)24/h5-12H,4H2,1-3H3,(H,22,23)
InChIKeyINBPMTNLYMLYAC-UHFFFAOYSA-N
XLogP4.67
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-(4-acetylanilino)-8-methylquinoline-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-acetylanilino)-8-methylquinoline-3-carboxylate?
The IUPAC name of ethyl 4-(4-acetylanilino)-8-methylquinoline-3-carboxylate (CID 705510) is ethyl 4-(4-acetylanilino)-8-methylquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-(4-acetylanilino)-8-methylquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-(4-acetylanilino)-8-methylquinoline-3-carboxylate is CCOC(=O)c1cnc2c(C)cccc2c1Nc1ccc(C(C)=O)cc1.
What is the InChIKey of ethyl 4-(4-acetylanilino)-8-methylquinoline-3-carboxylate?
The InChIKey is INBPMTNLYMLYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-4-26-21(25)18-12-22-19-13(2)6-5-7-17(19)20(18)23-16-10-8-15(9-11-16)14(3)24/h5-12H,4H2,1-3H3,(H,22,23).
What are the key properties of ethyl 4-(4-acetylanilino)-8-methylquinoline-3-carboxylate?
ethyl 4-(4-acetylanilino)-8-methylquinoline-3-carboxylate has a molecular weight of 348.40 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-acetylanilino)-8-methylquinoline-3-carboxylate is sourced from PubChem (CID 705510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).