1-butyl-3-[(Z)-2-hydroxy-2-phenylethenyl]quinoxalin-2-one

C20H20N2O2 — CID 162414456

IUPAC1-butyl-3-[(Z)-2-hydroxy-2-phenylethenyl]quinoxalin-2-one
SMILESCCCCn1c(=O)c(/C=C(\O)c2ccccc2)nc2ccccc21
InChIInChI=1S/C20H20N2O2/c1-2-3-13-22-18-12-8-7-11-16(18)21-17(20(22)24)14-19(23)15-9-5-4-6-10-15/h4-12,14,23H,2-3,13H2,1H3/b19-14-
InChIKeyPZDDIQCNWAFIDA-RGEXLXHISA-N
MW320.39 g/mol
LogP4.25
Rot. Bonds5

About 1-butyl-3-[(Z)-2-hydroxy-2-phenylethenyl]quinoxalin-2-one

1-butyl-3-[(Z)-2-hydroxy-2-phenylethenyl]quinoxalin-2-one (PubChem CID 162414456) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-butyl-3-[(Z)-2-hydroxy-2-phenylethenyl]quinoxalin-2-one.

Molecular Properties

Compound Name1-butyl-3-[(Z)-2-hydroxy-2-phenylethenyl]quinoxalin-2-one
PubChem CID162414456
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name1-butyl-3-[(Z)-2-hydroxy-2-phenylethenyl]quinoxalin-2-one
SMILESCCCCn1c(=O)c(/C=C(\O)c2ccccc2)nc2ccccc21
InChIInChI=1S/C20H20N2O2/c1-2-3-13-22-18-12-8-7-11-16(18)21-17(20(22)24)14-19(23)15-9-5-4-6-10-15/h4-12,14,23H,2-3,13H2,1H3/b19-14-
InChIKeyPZDDIQCNWAFIDA-RGEXLXHISA-N
XLogP4.25
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-benzoyl-1-pentylquinoxalin-2-one
CID 2016912
3-(4-butyl-3-oxoquinoxalin-2-yl)propanoic acid
CID 2432558
ethyl (E)-4-[3-[(Z)-2-hydroxy-2-phenylethenyl]-2-oxoquinoxalin-1-yl]but-2-enoate
CID 162414451
3-[(E)-2-(2-nitrophenyl)ethenyl]-1-pentylquinoxalin-2-one
CID 102261988
1-hexadecyl-3-methylquinoxalin-2-one
CID 57358117
1-butyl-2-(1-butylbenzimidazol-2-yl)benzimidazole
CID 4014777
1-butyl-2-(2-phenylethenyl)benzimidazole
CID 2896888
N-(1-octylbenzimidazol-2-yl)benzamide
CID 21449929
3-[2-(4-chlorophenyl)-2-hydroxyethenyl]-1-phenylquinoxalin-2-one
CID 1493865
1-butyl-2-[1-(1-butylbenzimidazol-2-yl)butyl]benzimidazole
CID 101260842
(1-ethylbenzimidazol-2-yl)-phenylmethanone
CID 67579558
N-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide
CID 16989287

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[(Z)-2-hydroxy-2-phenylethenyl]quinoxalin-2-one?
The IUPAC name of 1-butyl-3-[(Z)-2-hydroxy-2-phenylethenyl]quinoxalin-2-one (CID 162414456) is 1-butyl-3-[(Z)-2-hydroxy-2-phenylethenyl]quinoxalin-2-one.
What is the SMILES notation for 1-butyl-3-[(Z)-2-hydroxy-2-phenylethenyl]quinoxalin-2-one?
The canonical SMILES for 1-butyl-3-[(Z)-2-hydroxy-2-phenylethenyl]quinoxalin-2-one is CCCCn1c(=O)c(/C=C(\O)c2ccccc2)nc2ccccc21.
What is the InChIKey of 1-butyl-3-[(Z)-2-hydroxy-2-phenylethenyl]quinoxalin-2-one?
The InChIKey is PZDDIQCNWAFIDA-RGEXLXHISA-N. The full InChI is InChI=1S/C20H20N2O2/c1-2-3-13-22-18-12-8-7-11-16(18)21-17(20(22)24)14-19(23)15-9-5-4-6-10-15/h4-12,14,23H,2-3,13H2,1H3/b19-14-.
What are the key properties of 1-butyl-3-[(Z)-2-hydroxy-2-phenylethenyl]quinoxalin-2-one?
1-butyl-3-[(Z)-2-hydroxy-2-phenylethenyl]quinoxalin-2-one has a molecular weight of 320.39 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[(Z)-2-hydroxy-2-phenylethenyl]quinoxalin-2-one is sourced from PubChem (CID 162414456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).