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

C20H18N2O3 — CID 731738

IUPACethyl 4-(4-acetylanilino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccccc2c1Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C20H18N2O3/c1-3-25-20(24)17-12-21-18-7-5-4-6-16(18)19(17)22-15-10-8-14(9-11-15)13(2)23/h4-12H,3H2,1-2H3,(H,21,22)
InChIKeyZENPAQJYNBTCJS-UHFFFAOYSA-N
MW334.38 g/mol
LogP4.36
Rot. Bonds5

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

ethyl 4-(4-acetylanilino)quinoline-3-carboxylate (PubChem CID 731738) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is ethyl 4-(4-acetylanilino)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-acetylanilino)quinoline-3-carboxylate
PubChem CID731738
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Nameethyl 4-(4-acetylanilino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccccc2c1Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C20H18N2O3/c1-3-25-20(24)17-12-21-18-7-5-4-6-16(18)19(17)22-15-10-8-14(9-11-15)13(2)23/h4-12H,3H2,1-2H3,(H,21,22)
InChIKeyZENPAQJYNBTCJS-UHFFFAOYSA-N
XLogP4.36
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-acetylanilino)quinoline-3-carboxylate?
The IUPAC name of ethyl 4-(4-acetylanilino)quinoline-3-carboxylate (CID 731738) is ethyl 4-(4-acetylanilino)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-(4-acetylanilino)quinoline-3-carboxylate?
The canonical SMILES for ethyl 4-(4-acetylanilino)quinoline-3-carboxylate is CCOC(=O)c1cnc2ccccc2c1Nc1ccc(C(C)=O)cc1.
What is the InChIKey of ethyl 4-(4-acetylanilino)quinoline-3-carboxylate?
The InChIKey is ZENPAQJYNBTCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-3-25-20(24)17-12-21-18-7-5-4-6-16(18)19(17)22-15-10-8-14(9-11-15)13(2)23/h4-12H,3H2,1-2H3,(H,21,22).
What are the key properties of ethyl 4-(4-acetylanilino)quinoline-3-carboxylate?
ethyl 4-(4-acetylanilino)quinoline-3-carboxylate has a molecular weight of 334.38 g/mol, XLogP of 4.36, 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)quinoline-3-carboxylate is sourced from PubChem (CID 731738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).