propyl 6,7-dimethyl-3-(4-morpholin-4-ylanilino)quinoxaline-2-carboxylate

C24H28N4O3 — CID 50765227

IUPACpropyl 6,7-dimethyl-3-(4-morpholin-4-ylanilino)quinoxaline-2-carboxylate
SMILESCCCOC(=O)c1nc2cc(C)c(C)cc2nc1Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H28N4O3/c1-4-11-31-24(29)22-23(27-21-15-17(3)16(2)14-20(21)26-22)25-18-5-7-19(8-6-18)28-9-12-30-13-10-28/h5-8,14-15H,4,9-13H2,1-3H3,(H,25,27)
InChIKeyJSQOHZZLZOTHRY-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.39
Rot. Bonds6

About propyl 6,7-dimethyl-3-(4-morpholin-4-ylanilino)quinoxaline-2-carboxylate

propyl 6,7-dimethyl-3-(4-morpholin-4-ylanilino)quinoxaline-2-carboxylate (PubChem CID 50765227) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is propyl 6,7-dimethyl-3-(4-morpholin-4-ylanilino)quinoxaline-2-carboxylate.

Molecular Properties

Compound Namepropyl 6,7-dimethyl-3-(4-morpholin-4-ylanilino)quinoxaline-2-carboxylate
PubChem CID50765227
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Namepropyl 6,7-dimethyl-3-(4-morpholin-4-ylanilino)quinoxaline-2-carboxylate
SMILESCCCOC(=O)c1nc2cc(C)c(C)cc2nc1Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H28N4O3/c1-4-11-31-24(29)22-23(27-21-15-17(3)16(2)14-20(21)26-22)25-18-5-7-19(8-6-18)28-9-12-30-13-10-28/h5-8,14-15H,4,9-13H2,1-3H3,(H,25,27)
InChIKeyJSQOHZZLZOTHRY-UHFFFAOYSA-N
XLogP4.39
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 propyl 6,7-dimethyl-3-(4-morpholin-4-ylanilino)quinoxaline-2-carboxylate?
The IUPAC name of propyl 6,7-dimethyl-3-(4-morpholin-4-ylanilino)quinoxaline-2-carboxylate (CID 50765227) is propyl 6,7-dimethyl-3-(4-morpholin-4-ylanilino)quinoxaline-2-carboxylate.
What is the SMILES notation for propyl 6,7-dimethyl-3-(4-morpholin-4-ylanilino)quinoxaline-2-carboxylate?
The canonical SMILES for propyl 6,7-dimethyl-3-(4-morpholin-4-ylanilino)quinoxaline-2-carboxylate is CCCOC(=O)c1nc2cc(C)c(C)cc2nc1Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of propyl 6,7-dimethyl-3-(4-morpholin-4-ylanilino)quinoxaline-2-carboxylate?
The InChIKey is JSQOHZZLZOTHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-4-11-31-24(29)22-23(27-21-15-17(3)16(2)14-20(21)26-22)25-18-5-7-19(8-6-18)28-9-12-30-13-10-28/h5-8,14-15H,4,9-13H2,1-3H3,(H,25,27).
What are the key properties of propyl 6,7-dimethyl-3-(4-morpholin-4-ylanilino)quinoxaline-2-carboxylate?
propyl 6,7-dimethyl-3-(4-morpholin-4-ylanilino)quinoxaline-2-carboxylate has a molecular weight of 420.51 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 6,7-dimethyl-3-(4-morpholin-4-ylanilino)quinoxaline-2-carboxylate is sourced from PubChem (CID 50765227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).