2-cyclopropyl-1-[4-[4-[(2-fluorophenyl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]phenyl]ethanone

C28H23FN4O — CID 160776843

IUPAC2-cyclopropyl-1-[4-[4-[(2-fluorophenyl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]phenyl]ethanone
SMILESO=C(CC1CC1)c1ccc(-c2cnc3c(NCc4ccccc4F)nc4ccccc4n23)cc1
InChIInChI=1S/C28H23FN4O/c29-22-6-2-1-5-21(22)16-30-27-28-31-17-25(33(28)24-8-4-3-7-23(24)32-27)19-11-13-20(14-12-19)26(34)15-18-9-10-18/h1-8,11-14,17-18H,9-10,15-16H2,(H,30,32)
InChIKeySABALCYTSVKYOH-UHFFFAOYSA-N
MW450.52 g/mol
LogP6.28
Rot. Bonds7

About 2-cyclopropyl-1-[4-[4-[(2-fluorophenyl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]phenyl]ethanone

2-cyclopropyl-1-[4-[4-[(2-fluorophenyl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]phenyl]ethanone (PubChem CID 160776843) has the molecular formula C28H23FN4O and a molecular weight of 450.52 g/mol. Its IUPAC name is 2-cyclopropyl-1-[4-[4-[(2-fluorophenyl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-[4-[4-[(2-fluorophenyl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]phenyl]ethanone
PubChem CID160776843
Molecular FormulaC28H23FN4O
Molecular Weight450.52 g/mol
Exact Mass450.19
IUPAC Name2-cyclopropyl-1-[4-[4-[(2-fluorophenyl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]phenyl]ethanone
SMILESO=C(CC1CC1)c1ccc(-c2cnc3c(NCc4ccccc4F)nc4ccccc4n23)cc1
InChIInChI=1S/C28H23FN4O/c29-22-6-2-1-5-21(22)16-30-27-28-31-17-25(33(28)24-8-4-3-7-23(24)32-27)19-11-13-20(14-12-19)26(34)15-18-9-10-18/h1-8,11-14,17-18H,9-10,15-16H2,(H,30,32)
InChIKeySABALCYTSVKYOH-UHFFFAOYSA-N
XLogP6.28
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.52
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-1-[4-[4-[3-(dimethylamino)propylamino]imidazo[1,2-a]quinoxalin-1-yl]phenyl]ethanone
CID 147534440
4-[4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-4-oxobutanamide
CID 161066976
N-[cyclopropyl(pyridin-2-yl)methyl]-4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide
CID 163530972
N-(2-amino-2-oxoethyl)-4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide
CID 68763605
1-[4-[8-[(3-chlorothiophen-2-yl)methylamino]-6-phenylimidazo[1,2-a]pyrazin-3-yl]phenyl]-2-cyclopropylethanone
CID 158925037
N-cyclopropyl-4-[7,8-difluoro-4-[(1-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]benzamide
CID 66601296
1-[4-[8-(butylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]-2-cyclopropylethanone
CID 161353773
1-(cyclohexylmethyl)-2-[(2-fluorophenyl)methylamino]benzimidazole-5-carboxamide
CID 46879463
N-cyclopropyl-4-[4-(2,3-dihydroxypropylamino)-7,8-dimethylimidazo[1,2-a]quinoxalin-1-yl]benzamide
CID 68761182
N-cyclopropyl-4-[7,8-dimethyl-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide;1-[4-[4-[(4-fluorophenyl)methylamino]-7,8-dimethylimidazo[1,2-a]quinoxalin-1-yl]phenyl]-3-methylurea
CID 158779628
azepan-1-yl-[2-[(2-fluorophenyl)methylamino]pyrimidin-5-yl]methanone
CID 109257044
4-chloro-N-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 5061788

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[4-[4-[(2-fluorophenyl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]phenyl]ethanone?
The IUPAC name of 2-cyclopropyl-1-[4-[4-[(2-fluorophenyl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]phenyl]ethanone (CID 160776843) is 2-cyclopropyl-1-[4-[4-[(2-fluorophenyl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]phenyl]ethanone.
What is the SMILES notation for 2-cyclopropyl-1-[4-[4-[(2-fluorophenyl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]phenyl]ethanone?
The canonical SMILES for 2-cyclopropyl-1-[4-[4-[(2-fluorophenyl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]phenyl]ethanone is O=C(CC1CC1)c1ccc(-c2cnc3c(NCc4ccccc4F)nc4ccccc4n23)cc1.
What is the InChIKey of 2-cyclopropyl-1-[4-[4-[(2-fluorophenyl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]phenyl]ethanone?
The InChIKey is SABALCYTSVKYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23FN4O/c29-22-6-2-1-5-21(22)16-30-27-28-31-17-25(33(28)24-8-4-3-7-23(24)32-27)19-11-13-20(14-12-19)26(34)15-18-9-10-18/h1-8,11-14,17-18H,9-10,15-16H2,(H,30,32).
What are the key properties of 2-cyclopropyl-1-[4-[4-[(2-fluorophenyl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]phenyl]ethanone?
2-cyclopropyl-1-[4-[4-[(2-fluorophenyl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]phenyl]ethanone has a molecular weight of 450.52 g/mol, XLogP of 6.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[4-[4-[(2-fluorophenyl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]phenyl]ethanone is sourced from PubChem (CID 160776843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).