3-[(Z)-2-hydroxy-2-(4-nitrophenyl)ethenyl]-1-phenylquinoxalin-2-one

C22H15N3O4 — CID 135440789

IUPAC3-[(Z)-2-hydroxy-2-(4-nitrophenyl)ethenyl]-1-phenylquinoxalin-2-one
SMILESO=c1c(/C=C(\O)c2ccc([N+](=O)[O-])cc2)nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C22H15N3O4/c26-21(15-10-12-17(13-11-15)25(28)29)14-19-22(27)24(16-6-2-1-3-7-16)20-9-5-4-8-18(20)23-19/h1-14,26H/b21-14-
InChIKeyPHJLNTUINACCQO-STZFKDTASA-N
MW385.38 g/mol
LogP4.35
Rot. Bonds4

About 3-[(Z)-2-hydroxy-2-(4-nitrophenyl)ethenyl]-1-phenylquinoxalin-2-one

3-[(Z)-2-hydroxy-2-(4-nitrophenyl)ethenyl]-1-phenylquinoxalin-2-one (PubChem CID 135440789) has the molecular formula C22H15N3O4 and a molecular weight of 385.38 g/mol. Its IUPAC name is 3-[(Z)-2-hydroxy-2-(4-nitrophenyl)ethenyl]-1-phenylquinoxalin-2-one.

Molecular Properties

Compound Name3-[(Z)-2-hydroxy-2-(4-nitrophenyl)ethenyl]-1-phenylquinoxalin-2-one
PubChem CID135440789
Molecular FormulaC22H15N3O4
Molecular Weight385.38 g/mol
Exact Mass385.11
IUPAC Name3-[(Z)-2-hydroxy-2-(4-nitrophenyl)ethenyl]-1-phenylquinoxalin-2-one
SMILESO=c1c(/C=C(\O)c2ccc([N+](=O)[O-])cc2)nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C22H15N3O4/c26-21(15-10-12-17(13-11-15)25(28)29)14-19-22(27)24(16-6-2-1-3-7-16)20-9-5-4-8-18(20)23-19/h1-14,26H/b21-14-
InChIKeyPHJLNTUINACCQO-STZFKDTASA-N
XLogP4.35
TPSA98.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(4-chlorophenyl)-2-hydroxyethenyl]-1-phenylquinoxalin-2-one
CID 1493865
1-butyl-3-[(Z)-2-hydroxy-2-phenylethenyl]quinoxalin-2-one
CID 162414456
3-[(Z)-2-hydroxy-2-phenylethenyl]-7-nitro-1H-quinoxalin-2-one
CID 135493783
3-[(Z)-2-hydroxy-2-phenylethenyl]-6-nitro-1H-quinoxalin-2-one
CID 135403094
ethane;2-methylsulfanyl-1-(4-nitrophenyl)benzimidazole
CID 91362778
(E)-2-[3-[(Z)-2-hydroxy-2-(4-methylphenyl)ethenyl]-6-nitroquinoxalin-2-yl]-1-(4-methylphenyl)ethenol
CID 135403093
(Z)-2-[3-[(Z)-2-hydroxy-2-(4-methylphenyl)ethenyl]-6-nitroquinoxalin-2-yl]-1-(4-methylphenyl)ethenol
CID 135481380
6-chloro-3-[(Z)-2-hydroxy-2-(4-nitrophenyl)ethenyl]-1,4-benzoxazin-2-one
CID 135543161
3-amino-1-phenylquinoxalin-2-one
CID 19045865
3-(4-nitrophenyl)-2-phenylquinazolin-4-one
CID 921318
1-[4-(4-nitrophenyl)piperazin-1-yl]-3-(1-phenylbenzimidazol-2-yl)propan-1-one
CID 3904421
2-[2-(3,4-dihydroxyphenyl)ethenyl]-3-(4-nitrophenyl)quinazolin-4-one
CID 3628212

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-2-hydroxy-2-(4-nitrophenyl)ethenyl]-1-phenylquinoxalin-2-one?
The IUPAC name of 3-[(Z)-2-hydroxy-2-(4-nitrophenyl)ethenyl]-1-phenylquinoxalin-2-one (CID 135440789) is 3-[(Z)-2-hydroxy-2-(4-nitrophenyl)ethenyl]-1-phenylquinoxalin-2-one.
What is the SMILES notation for 3-[(Z)-2-hydroxy-2-(4-nitrophenyl)ethenyl]-1-phenylquinoxalin-2-one?
The canonical SMILES for 3-[(Z)-2-hydroxy-2-(4-nitrophenyl)ethenyl]-1-phenylquinoxalin-2-one is O=c1c(/C=C(\O)c2ccc([N+](=O)[O-])cc2)nc2ccccc2n1-c1ccccc1.
What is the InChIKey of 3-[(Z)-2-hydroxy-2-(4-nitrophenyl)ethenyl]-1-phenylquinoxalin-2-one?
The InChIKey is PHJLNTUINACCQO-STZFKDTASA-N. The full InChI is InChI=1S/C22H15N3O4/c26-21(15-10-12-17(13-11-15)25(28)29)14-19-22(27)24(16-6-2-1-3-7-16)20-9-5-4-8-18(20)23-19/h1-14,26H/b21-14-.
What are the key properties of 3-[(Z)-2-hydroxy-2-(4-nitrophenyl)ethenyl]-1-phenylquinoxalin-2-one?
3-[(Z)-2-hydroxy-2-(4-nitrophenyl)ethenyl]-1-phenylquinoxalin-2-one has a molecular weight of 385.38 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-2-hydroxy-2-(4-nitrophenyl)ethenyl]-1-phenylquinoxalin-2-one is sourced from PubChem (CID 135440789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).