8-[1-(3-fluoroanilino)ethyl]-N-[2-(methylamino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxamide

C24H29FN6O2 — CID 129030093

IUPAC8-[1-(3-fluoroanilino)ethyl]-N-[2-(methylamino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxamide
SMILESCNCCNC(=O)c1cc(C(C)Nc2cccc(F)c2)c2nc(N3CCOCC3)cnc2c1
InChIInChI=1S/C24H29FN6O2/c1-16(29-19-5-3-4-18(25)14-19)20-12-17(24(32)27-7-6-26-2)13-21-23(20)30-22(15-28-21)31-8-10-33-11-9-31/h3-5,12-16,26,29H,6-11H2,1-2H3,(H,27,32)
InChIKeyMUSGURQXGKSPBK-UHFFFAOYSA-N
MW452.53 g/mol
LogP2.73
Rot. Bonds8

About 8-[1-(3-fluoroanilino)ethyl]-N-[2-(methylamino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxamide

8-[1-(3-fluoroanilino)ethyl]-N-[2-(methylamino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxamide (PubChem CID 129030093) has the molecular formula C24H29FN6O2 and a molecular weight of 452.53 g/mol. Its IUPAC name is 8-[1-(3-fluoroanilino)ethyl]-N-[2-(methylamino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxamide.

Molecular Properties

Compound Name8-[1-(3-fluoroanilino)ethyl]-N-[2-(methylamino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxamide
PubChem CID129030093
Molecular FormulaC24H29FN6O2
Molecular Weight452.53 g/mol
Exact Mass452.23
IUPAC Name8-[1-(3-fluoroanilino)ethyl]-N-[2-(methylamino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxamide
SMILESCNCCNC(=O)c1cc(C(C)Nc2cccc(F)c2)c2nc(N3CCOCC3)cnc2c1
InChIInChI=1S/C24H29FN6O2/c1-16(29-19-5-3-4-18(25)14-19)20-12-17(24(32)27-7-6-26-2)13-21-23(20)30-22(15-28-21)31-8-10-33-11-9-31/h3-5,12-16,26,29H,6-11H2,1-2H3,(H,27,32)
InChIKeyMUSGURQXGKSPBK-UHFFFAOYSA-N
XLogP2.73
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[1-(3-fluoroanilino)ethyl]-N-[2-(methylamino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxamide?
The IUPAC name of 8-[1-(3-fluoroanilino)ethyl]-N-[2-(methylamino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxamide (CID 129030093) is 8-[1-(3-fluoroanilino)ethyl]-N-[2-(methylamino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxamide.
What is the SMILES notation for 8-[1-(3-fluoroanilino)ethyl]-N-[2-(methylamino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxamide?
The canonical SMILES for 8-[1-(3-fluoroanilino)ethyl]-N-[2-(methylamino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxamide is CNCCNC(=O)c1cc(C(C)Nc2cccc(F)c2)c2nc(N3CCOCC3)cnc2c1.
What is the InChIKey of 8-[1-(3-fluoroanilino)ethyl]-N-[2-(methylamino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxamide?
The InChIKey is MUSGURQXGKSPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN6O2/c1-16(29-19-5-3-4-18(25)14-19)20-12-17(24(32)27-7-6-26-2)13-21-23(20)30-22(15-28-21)31-8-10-33-11-9-31/h3-5,12-16,26,29H,6-11H2,1-2H3,(H,27,32).
What are the key properties of 8-[1-(3-fluoroanilino)ethyl]-N-[2-(methylamino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxamide?
8-[1-(3-fluoroanilino)ethyl]-N-[2-(methylamino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxamide has a molecular weight of 452.53 g/mol, XLogP of 2.73, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(3-fluoroanilino)ethyl]-N-[2-(methylamino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxamide is sourced from PubChem (CID 129030093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).