ethyl 6,8-dimethyl-4-(4-morpholin-4-ylanilino)quinoline-3-carboxylate

C24H27N3O3 — CID 1187225

IUPACethyl 6,8-dimethyl-4-(4-morpholin-4-ylanilino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H27N3O3/c1-4-30-24(28)21-15-25-22-17(3)13-16(2)14-20(22)23(21)26-18-5-7-19(8-6-18)27-9-11-29-12-10-27/h5-8,13-15H,4,9-12H2,1-3H3,(H,25,26)
InChIKeyWRFYIGQWUGXGJE-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.61
Rot. Bonds5

About ethyl 6,8-dimethyl-4-(4-morpholin-4-ylanilino)quinoline-3-carboxylate

ethyl 6,8-dimethyl-4-(4-morpholin-4-ylanilino)quinoline-3-carboxylate (PubChem CID 1187225) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is ethyl 6,8-dimethyl-4-(4-morpholin-4-ylanilino)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6,8-dimethyl-4-(4-morpholin-4-ylanilino)quinoline-3-carboxylate
PubChem CID1187225
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Nameethyl 6,8-dimethyl-4-(4-morpholin-4-ylanilino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H27N3O3/c1-4-30-24(28)21-15-25-22-17(3)13-16(2)14-20(22)23(21)26-18-5-7-19(8-6-18)27-9-11-29-12-10-27/h5-8,13-15H,4,9-12H2,1-3H3,(H,25,26)
InChIKeyWRFYIGQWUGXGJE-UHFFFAOYSA-N
XLogP4.61
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.61
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 6,8-dimethyl-4-(4-morpholin-4-ylanilino)quinoline-3-carboxylate?
The IUPAC name of ethyl 6,8-dimethyl-4-(4-morpholin-4-ylanilino)quinoline-3-carboxylate (CID 1187225) is ethyl 6,8-dimethyl-4-(4-morpholin-4-ylanilino)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6,8-dimethyl-4-(4-morpholin-4-ylanilino)quinoline-3-carboxylate?
The canonical SMILES for ethyl 6,8-dimethyl-4-(4-morpholin-4-ylanilino)quinoline-3-carboxylate is CCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of ethyl 6,8-dimethyl-4-(4-morpholin-4-ylanilino)quinoline-3-carboxylate?
The InChIKey is WRFYIGQWUGXGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-4-30-24(28)21-15-25-22-17(3)13-16(2)14-20(22)23(21)26-18-5-7-19(8-6-18)27-9-11-29-12-10-27/h5-8,13-15H,4,9-12H2,1-3H3,(H,25,26).
What are the key properties of ethyl 6,8-dimethyl-4-(4-morpholin-4-ylanilino)quinoline-3-carboxylate?
ethyl 6,8-dimethyl-4-(4-morpholin-4-ylanilino)quinoline-3-carboxylate has a molecular weight of 405.50 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6,8-dimethyl-4-(4-morpholin-4-ylanilino)quinoline-3-carboxylate is sourced from PubChem (CID 1187225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).