N,N-diethylethanamine;1-ethynyl-N-[3-(oxan-2-yloxy)propyl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-amine;morpholine-4-carbonyl chloride;1-morpholin-4-yl-3-[4-[3-(oxan-2-yloxy)propylamino]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]prop-2-yn-1-one

C58H72ClF6N11O8 — CID 158526915

About N,N-diethylethanamine;1-ethynyl-N-[3-(oxan-2-yloxy)propyl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-amine;morpholine-4-carbonyl chloride;1-morpholin-4-yl-3-[4-[3-(oxan-2-yloxy)propylamino]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]prop-2-yn-1-one

N,N-diethylethanamine;1-ethynyl-N-[3-(oxan-2-yloxy)propyl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-amine;morpholine-4-carbonyl chloride;1-morpholin-4-yl-3-[4-[3-(oxan-2-yloxy)propylamino]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]prop-2-yn-1-one (PubChem CID 158526915) has the molecular formula C58H72ClF6N11O8 and a molecular weight of 1200.72 g/mol. Its IUPAC name is N,N-diethylethanamine;1-ethynyl-N-[3-(oxan-2-yloxy)propyl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-amine;morpholine-4-carbonyl chloride;1-morpholin-4-yl-3-[4-[3-(oxan-2-yloxy)propylamino]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]prop-2-yn-1-one.

Molecular Properties

• Compound Name: N,N-diethylethanamine;1-ethynyl-N-[3-(oxan-2-yloxy)propyl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-amine;morpholine-4-carbonyl chloride;1-morpholin-4-yl-3-[4-[3-(oxan-2-yloxy)propylamino]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]prop-2-yn-1-one
• PubChem CID: 158526915
• Molecular Formula: C58H72ClF6N11O8
• Molecular Weight: 1200.72 g/mol
• Exact Mass: 1199.52
• IUPAC Name: N,N-diethylethanamine;1-ethynyl-N-[3-(oxan-2-yloxy)propyl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-amine;morpholine-4-carbonyl chloride;1-morpholin-4-yl-3-[4-[3-(oxan-2-yloxy)propylamino]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]prop-2-yn-1-one
• SMILES: C#Cc1cnc2c(NCCCOC3CCCCO3)nc3cc(C(F)(F)F)ccc3n12.CCN(CC)CC.O=C(C#Cc1cnc2c(NCCCOC3CCCCO3)nc3cc(C(F)(F)F)ccc3n12)N1CCOCC1.O=C(Cl)N1CCOCC1
• InChI: InChI=1S/C26H28F3N5O4.C21H21F3N4O2.C6H15N.C5H8ClNO2/c27-26(28,29)18-5-7-21-20(16-18)32-24(30-9-3-13-38-23-4-1-2-12-37-23)25-31-17-19(34(21)25)6-8-22(35)33-10-14-36-15-11-33;1-2-15-13-26-20-19(25-9-5-11-30-18-6-3-4-10-29-18)27-16-12-14(21(22,23)24)7-8-17(16)28(15)20;1-4-7(5-2)6-3;6-5(8)7-1-3-9-4-2-7/h5,7,16-17,23H,1-4,9-15H2,(H,30,32);1,7-8,12-13,18H,3-6,9-11H2,(H,25,27);4-6H2,1-3H3;1-4H2
• InChIKey: HMWWEQMRHSUQHP-UHFFFAOYSA-N
• XLogP: 9.71
• TPSA: 183.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 15
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1200.72
LogP ≤ 5	9.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;1-ethynyl-N-[3-(oxan-2-yloxy)propyl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-amine;morpholine-4-carbonyl chloride;1-morpholin-4-yl-3-[4-[3-(oxan-2-yloxy)propylamino]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]prop-2-yn-1-one?

The IUPAC name of N,N-diethylethanamine;1-ethynyl-N-[3-(oxan-2-yloxy)propyl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-amine;morpholine-4-carbonyl chloride;1-morpholin-4-yl-3-[4-[3-(oxan-2-yloxy)propylamino]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]prop-2-yn-1-one (CID 158526915) is N,N-diethylethanamine;1-ethynyl-N-[3-(oxan-2-yloxy)propyl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-amine;morpholine-4-carbonyl chloride;1-morpholin-4-yl-3-[4-[3-(oxan-2-yloxy)propylamino]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]prop-2-yn-1-one.

What is the SMILES notation for N,N-diethylethanamine;1-ethynyl-N-[3-(oxan-2-yloxy)propyl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-amine;morpholine-4-carbonyl chloride;1-morpholin-4-yl-3-[4-[3-(oxan-2-yloxy)propylamino]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]prop-2-yn-1-one?

The canonical SMILES for N,N-diethylethanamine;1-ethynyl-N-[3-(oxan-2-yloxy)propyl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-amine;morpholine-4-carbonyl chloride;1-morpholin-4-yl-3-[4-[3-(oxan-2-yloxy)propylamino]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]prop-2-yn-1-one is C#Cc1cnc2c(NCCCOC3CCCCO3)nc3cc(C(F)(F)F)ccc3n12.CCN(CC)CC.O=C(C#Cc1cnc2c(NCCCOC3CCCCO3)nc3cc(C(F)(F)F)ccc3n12)N1CCOCC1.O=C(Cl)N1CCOCC1.

What is the InChIKey of N,N-diethylethanamine;1-ethynyl-N-[3-(oxan-2-yloxy)propyl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-amine;morpholine-4-carbonyl chloride;1-morpholin-4-yl-3-[4-[3-(oxan-2-yloxy)propylamino]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]prop-2-yn-1-one?

The InChIKey is HMWWEQMRHSUQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F3N5O4.C21H21F3N4O2.C6H15N.C5H8ClNO2/c27-26(28,29)18-5-7-21-20(16-18)32-24(30-9-3-13-38-23-4-1-2-12-37-23)25-31-17-19(34(21)25)6-8-22(35)33-10-14-36-15-11-33;1-2-15-13-26-20-19(25-9-5-11-30-18-6-3-4-10-29-18)27-16-12-14(21(22,23)24)7-8-17(16)28(15)20;1-4-7(5-2)6-3;6-5(8)7-1-3-9-4-2-7/h5,7,16-17,23H,1-4,9-15H2,(H,30,32);1,7-8,12-13,18H,3-6,9-11H2,(H,25,27);4-6H2,1-3H3;1-4H2.

What are the key properties of N,N-diethylethanamine;1-ethynyl-N-[3-(oxan-2-yloxy)propyl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-amine;morpholine-4-carbonyl chloride;1-morpholin-4-yl-3-[4-[3-(oxan-2-yloxy)propylamino]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]prop-2-yn-1-one?

N,N-diethylethanamine;1-ethynyl-N-[3-(oxan-2-yloxy)propyl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-amine;morpholine-4-carbonyl chloride;1-morpholin-4-yl-3-[4-[3-(oxan-2-yloxy)propylamino]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]prop-2-yn-1-one has a molecular weight of 1200.72 g/mol, XLogP of 9.71, 15 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diethylethanamine;1-ethynyl-N-[3-(oxan-2-yloxy)propyl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-amine;morpholine-4-carbonyl chloride;1-morpholin-4-yl-3-[4-[3-(oxan-2-yloxy)propylamino]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]prop-2-yn-1-one is sourced from PubChem (CID 158526915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).