ethyl 6-methyl-4-(4-morpholin-4-ylanilino)quinoline-3-carboxylate

C23H25N3O3 — CID 1190554

IUPACethyl 6-methyl-4-(4-morpholin-4-ylanilino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(C)cc2c1Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H25N3O3/c1-3-29-23(27)20-15-24-21-9-4-16(2)14-19(21)22(20)25-17-5-7-18(8-6-17)26-10-12-28-13-11-26/h4-9,14-15H,3,10-13H2,1-2H3,(H,24,25)
InChIKeyOTKPJORJFHKENB-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.30
Rot. Bonds5

About ethyl 6-methyl-4-(4-morpholin-4-ylanilino)quinoline-3-carboxylate

ethyl 6-methyl-4-(4-morpholin-4-ylanilino)quinoline-3-carboxylate (PubChem CID 1190554) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is ethyl 6-methyl-4-(4-morpholin-4-ylanilino)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-4-(4-morpholin-4-ylanilino)quinoline-3-carboxylate
PubChem CID1190554
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Nameethyl 6-methyl-4-(4-morpholin-4-ylanilino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(C)cc2c1Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H25N3O3/c1-3-29-23(27)20-15-24-21-9-4-16(2)14-19(21)22(20)25-17-5-7-18(8-6-17)26-10-12-28-13-11-26/h4-9,14-15H,3,10-13H2,1-2H3,(H,24,25)
InChIKeyOTKPJORJFHKENB-UHFFFAOYSA-N
XLogP4.30
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.30
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 6-methyl-4-(4-morpholin-4-ylanilino)quinoline-3-carboxylate?
The IUPAC name of ethyl 6-methyl-4-(4-morpholin-4-ylanilino)quinoline-3-carboxylate (CID 1190554) is ethyl 6-methyl-4-(4-morpholin-4-ylanilino)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-methyl-4-(4-morpholin-4-ylanilino)quinoline-3-carboxylate?
The canonical SMILES for ethyl 6-methyl-4-(4-morpholin-4-ylanilino)quinoline-3-carboxylate is CCOC(=O)c1cnc2ccc(C)cc2c1Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of ethyl 6-methyl-4-(4-morpholin-4-ylanilino)quinoline-3-carboxylate?
The InChIKey is OTKPJORJFHKENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-3-29-23(27)20-15-24-21-9-4-16(2)14-19(21)22(20)25-17-5-7-18(8-6-17)26-10-12-28-13-11-26/h4-9,14-15H,3,10-13H2,1-2H3,(H,24,25).
What are the key properties of ethyl 6-methyl-4-(4-morpholin-4-ylanilino)quinoline-3-carboxylate?
ethyl 6-methyl-4-(4-morpholin-4-ylanilino)quinoline-3-carboxylate has a molecular weight of 391.47 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-4-(4-morpholin-4-ylanilino)quinoline-3-carboxylate is sourced from PubChem (CID 1190554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).