ethyl 4-(4-morpholin-4-ylanilino)quinoline-3-carboxylate

C22H23N3O3 — CID 1190549

IUPACethyl 4-(4-morpholin-4-ylanilino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccccc2c1Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H23N3O3/c1-2-28-22(26)19-15-23-20-6-4-3-5-18(20)21(19)24-16-7-9-17(10-8-16)25-11-13-27-14-12-25/h3-10,15H,2,11-14H2,1H3,(H,23,24)
InChIKeyYFUOAISWAWACPJ-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.99
Rot. Bonds5

About ethyl 4-(4-morpholin-4-ylanilino)quinoline-3-carboxylate

ethyl 4-(4-morpholin-4-ylanilino)quinoline-3-carboxylate (PubChem CID 1190549) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is ethyl 4-(4-morpholin-4-ylanilino)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-morpholin-4-ylanilino)quinoline-3-carboxylate
PubChem CID1190549
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Nameethyl 4-(4-morpholin-4-ylanilino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccccc2c1Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H23N3O3/c1-2-28-22(26)19-15-23-20-6-4-3-5-18(20)21(19)24-16-7-9-17(10-8-16)25-11-13-27-14-12-25/h3-10,15H,2,11-14H2,1H3,(H,23,24)
InChIKeyYFUOAISWAWACPJ-UHFFFAOYSA-N
XLogP3.99
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-morpholin-4-ylanilino)quinoline-3-carboxylate?
The IUPAC name of ethyl 4-(4-morpholin-4-ylanilino)quinoline-3-carboxylate (CID 1190549) is ethyl 4-(4-morpholin-4-ylanilino)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-(4-morpholin-4-ylanilino)quinoline-3-carboxylate?
The canonical SMILES for ethyl 4-(4-morpholin-4-ylanilino)quinoline-3-carboxylate is CCOC(=O)c1cnc2ccccc2c1Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of ethyl 4-(4-morpholin-4-ylanilino)quinoline-3-carboxylate?
The InChIKey is YFUOAISWAWACPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-2-28-22(26)19-15-23-20-6-4-3-5-18(20)21(19)24-16-7-9-17(10-8-16)25-11-13-27-14-12-25/h3-10,15H,2,11-14H2,1H3,(H,23,24).
What are the key properties of ethyl 4-(4-morpholin-4-ylanilino)quinoline-3-carboxylate?
ethyl 4-(4-morpholin-4-ylanilino)quinoline-3-carboxylate has a molecular weight of 377.44 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-morpholin-4-ylanilino)quinoline-3-carboxylate is sourced from PubChem (CID 1190549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).