ethyl 4-(4-acetamidoanilino)quinoline-3-carboxylate

C20H19N3O3 — CID 66715927

IUPACethyl 4-(4-acetamidoanilino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccccc2c1Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C20H19N3O3/c1-3-26-20(25)17-12-21-18-7-5-4-6-16(18)19(17)23-15-10-8-14(9-11-15)22-13(2)24/h4-12H,3H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyDGTAQXSBAUNHTP-UHFFFAOYSA-N
MW349.39 g/mol
LogP4.11
Rot. Bonds5

About ethyl 4-(4-acetamidoanilino)quinoline-3-carboxylate

ethyl 4-(4-acetamidoanilino)quinoline-3-carboxylate (PubChem CID 66715927) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is ethyl 4-(4-acetamidoanilino)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-acetamidoanilino)quinoline-3-carboxylate
PubChem CID66715927
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Nameethyl 4-(4-acetamidoanilino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccccc2c1Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C20H19N3O3/c1-3-26-20(25)17-12-21-18-7-5-4-6-16(18)19(17)23-15-10-8-14(9-11-15)22-13(2)24/h4-12H,3H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyDGTAQXSBAUNHTP-UHFFFAOYSA-N
XLogP4.11
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 4-(4-acetamidoanilino)quinoline-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

Related Compounds

ethyl 4-[4-(2-methylpropoxy)anilino]quinoline-3-carboxylate
CID 23731775
ethyl 4-(3-methoxyanilino)quinoline-3-carboxylate
CID 709089
ethyl 4-(4-acetamidoanilino)-7,8-dimethylquinoline-3-carboxylate
CID 2956986
diethyl 4-(4-anilinoanilino)quinoline-3,6-dicarboxylate
CID 23936289
ethyl 4-[3-(methanesulfonamido)anilino]quinoline-3-carboxylate
CID 155927197
ethyl 4-(prop-2-enylamino)quinoline-3-carboxylate
CID 13295816
ethyl 4-(4-hydroxyanilino)-8-methylquinoline-3-carboxylate;hydrochloride
CID 2790966
ethyl 4-(4-acetylanilino)-6-bromoquinoline-3-carboxylate
CID 1189464
ethyl 4-(2-phenylethylamino)quinoline-3-carboxylate
CID 709117
ethyl 4-anilino-8-chloroquinoline-3-carboxylate
CID 728783
3-O-ethyl 8-O-methyl 4-(4-hydroxyanilino)quinoline-3,8-dicarboxylate
CID 1191451
ethyl 4-(4-methoxycarbonylanilino)-6-methylquinoline-3-carboxylate
CID 1180834

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-acetamidoanilino)quinoline-3-carboxylate?
The IUPAC name of ethyl 4-(4-acetamidoanilino)quinoline-3-carboxylate (CID 66715927) is ethyl 4-(4-acetamidoanilino)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-(4-acetamidoanilino)quinoline-3-carboxylate?
The canonical SMILES for ethyl 4-(4-acetamidoanilino)quinoline-3-carboxylate is CCOC(=O)c1cnc2ccccc2c1Nc1ccc(NC(C)=O)cc1.
What is the InChIKey of ethyl 4-(4-acetamidoanilino)quinoline-3-carboxylate?
The InChIKey is DGTAQXSBAUNHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-3-26-20(25)17-12-21-18-7-5-4-6-16(18)19(17)23-15-10-8-14(9-11-15)22-13(2)24/h4-12H,3H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of ethyl 4-(4-acetamidoanilino)quinoline-3-carboxylate?
ethyl 4-(4-acetamidoanilino)quinoline-3-carboxylate has a molecular weight of 349.39 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-acetamidoanilino)quinoline-3-carboxylate is sourced from PubChem (CID 66715927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).