4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenol;N-(2-methylpropyl)-1-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]quinoxalin-4-amine

C41H39F3N8O — CID 162006144

IUPAC4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenol;N-(2-methylpropyl)-1-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]quinoxalin-4-amine
SMILESCC(C)CNc1nc2ccccc2n2c(-c3ccc(O)cc3)cnc12.CC(C)CNc1nc2ccccc2n2c(-c3ccccc3C(F)(F)F)cnc12
InChIInChI=1S/C21H19F3N4.C20H20N4O/c1-13(2)11-25-19-20-26-12-18(14-7-3-4-8-15(14)21(22,23)24)28(20)17-10-6-5-9-16(17)27-19;1-13(2)11-21-19-20-22-12-18(14-7-9-15(25)10-8-14)24(20)17-6-4-3-5-16(17)23-19/h3-10,12-13H,11H2,1-2H3,(H,25,27);3-10,12-13,25H,11H2,1-2H3,(H,21,23)
InChIKeyYSWAIKKGUAIAIN-UHFFFAOYSA-N
MW716.81 g/mol
LogP9.96
Rot. Bonds8

About 4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenol;N-(2-methylpropyl)-1-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]quinoxalin-4-amine

4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenol;N-(2-methylpropyl)-1-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]quinoxalin-4-amine (PubChem CID 162006144) has the molecular formula C41H39F3N8O and a molecular weight of 716.81 g/mol. Its IUPAC name is 4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenol;N-(2-methylpropyl)-1-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]quinoxalin-4-amine.

Molecular Properties

Compound Name4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenol;N-(2-methylpropyl)-1-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]quinoxalin-4-amine
PubChem CID162006144
Molecular FormulaC41H39F3N8O
Molecular Weight716.81 g/mol
Exact Mass716.32
IUPAC Name4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenol;N-(2-methylpropyl)-1-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]quinoxalin-4-amine
SMILESCC(C)CNc1nc2ccccc2n2c(-c3ccc(O)cc3)cnc12.CC(C)CNc1nc2ccccc2n2c(-c3ccccc3C(F)(F)F)cnc12
InChIInChI=1S/C21H19F3N4.C20H20N4O/c1-13(2)11-25-19-20-26-12-18(14-7-3-4-8-15(14)21(22,23)24)28(20)17-10-6-5-9-16(17)27-19;1-13(2)11-21-19-20-22-12-18(14-7-9-15(25)10-8-14)24(20)17-6-4-3-5-16(17)23-19/h3-10,12-13H,11H2,1-2H3,(H,25,27);3-10,12-13,25H,11H2,1-2H3,(H,21,23)
InChIKeyYSWAIKKGUAIAIN-UHFFFAOYSA-N
XLogP9.96
TPSA104.67 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.81
LogP ≤ 59.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenol;N-(2-methylpropyl)-1-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]quinoxalin-4-amine with MolForge

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Related Compounds

4-[4-phenyl-5-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-2-yl]phenol
CID 137638482
4-[3-(Cyclohexylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenol
CID 856590
EAPB-0503 metabolite M'5
CID 44224744
4-[6-[4-(4-Isopropyl-piperazin-1-yl)phenyl]imidazo [1,2-a]pyrazin-3-yl]phenol
CID 137001370
4-[6-[4-(4-Methyl-piperazin-1-yl)phenyl]imidazo [1,2-a]pyrazin-3-yl]phenol
CID 137120123
4-{8-Methyl-3-[(2-methylphenyl)amino]imidazo[1,2-a]pyridin-2-yl}phenol
CID 5233037
4-[4-(4-fluorophenyl)-5-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-2-yl]phenol
CID 136236302
4-(1-Aminopyrazino[1,2-a]benzimidazol-3-yl)phenol
CID 164626019
4-[6-(6-Amino-3-pyridyl)imidazo [1,2-a]pyrazin-3-yl]phenol
CID 137120126
US10513523, Example 6
CID 137053624
US10513523, Example 29
CID 137053626
US10513523, Example 28
CID 137053648

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenol;N-(2-methylpropyl)-1-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]quinoxalin-4-amine?
The IUPAC name of 4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenol;N-(2-methylpropyl)-1-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]quinoxalin-4-amine (CID 162006144) is 4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenol;N-(2-methylpropyl)-1-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]quinoxalin-4-amine.
What is the SMILES notation for 4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenol;N-(2-methylpropyl)-1-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]quinoxalin-4-amine?
The canonical SMILES for 4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenol;N-(2-methylpropyl)-1-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]quinoxalin-4-amine is CC(C)CNc1nc2ccccc2n2c(-c3ccc(O)cc3)cnc12.CC(C)CNc1nc2ccccc2n2c(-c3ccccc3C(F)(F)F)cnc12.
What is the InChIKey of 4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenol;N-(2-methylpropyl)-1-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]quinoxalin-4-amine?
The InChIKey is YSWAIKKGUAIAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4.C20H20N4O/c1-13(2)11-25-19-20-26-12-18(14-7-3-4-8-15(14)21(22,23)24)28(20)17-10-6-5-9-16(17)27-19;1-13(2)11-21-19-20-22-12-18(14-7-9-15(25)10-8-14)24(20)17-6-4-3-5-16(17)23-19/h3-10,12-13H,11H2,1-2H3,(H,25,27);3-10,12-13,25H,11H2,1-2H3,(H,21,23).
What are the key properties of 4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenol;N-(2-methylpropyl)-1-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]quinoxalin-4-amine?
4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenol;N-(2-methylpropyl)-1-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]quinoxalin-4-amine has a molecular weight of 716.81 g/mol, XLogP of 9.96, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenol;N-(2-methylpropyl)-1-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]quinoxalin-4-amine is sourced from PubChem (CID 162006144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).