(Z)-2-[3-[(Z)-2-hydroxy-2-(4-methylphenyl)ethenyl]-6-nitroquinoxalin-2-yl]-1-(4-methylphenyl)ethenol

C26H21N3O4 — CID 135481380

IUPAC(Z)-2-[3-[(Z)-2-hydroxy-2-(4-methylphenyl)ethenyl]-6-nitroquinoxalin-2-yl]-1-(4-methylphenyl)ethenol
SMILESCc1ccc(/C(O)=C/c2nc3ccc([N+](=O)[O-])cc3nc2/C=C(\O)c2ccc(C)cc2)cc1
InChIInChI=1S/C26H21N3O4/c1-16-3-7-18(8-4-16)25(30)14-23-24(15-26(31)19-9-5-17(2)6-10-19)28-22-13-20(29(32)33)11-12-21(22)27-23/h3-15,30-31H,1-2H3/b25-14-,26-15-
InChIKeyNMFAWSNZMBACCX-CPZPTNFUSA-N
MW439.47 g/mol
LogP6.27
Rot. Bonds5

About (Z)-2-[3-[(Z)-2-hydroxy-2-(4-methylphenyl)ethenyl]-6-nitroquinoxalin-2-yl]-1-(4-methylphenyl)ethenol

(Z)-2-[3-[(Z)-2-hydroxy-2-(4-methylphenyl)ethenyl]-6-nitroquinoxalin-2-yl]-1-(4-methylphenyl)ethenol (PubChem CID 135481380) has the molecular formula C26H21N3O4 and a molecular weight of 439.47 g/mol. Its IUPAC name is (Z)-2-[3-[(Z)-2-hydroxy-2-(4-methylphenyl)ethenyl]-6-nitroquinoxalin-2-yl]-1-(4-methylphenyl)ethenol.

Molecular Properties

Compound Name(Z)-2-[3-[(Z)-2-hydroxy-2-(4-methylphenyl)ethenyl]-6-nitroquinoxalin-2-yl]-1-(4-methylphenyl)ethenol
PubChem CID135481380
Molecular FormulaC26H21N3O4
Molecular Weight439.47 g/mol
Exact Mass439.15
IUPAC Name(Z)-2-[3-[(Z)-2-hydroxy-2-(4-methylphenyl)ethenyl]-6-nitroquinoxalin-2-yl]-1-(4-methylphenyl)ethenol
SMILESCc1ccc(/C(O)=C/c2nc3ccc([N+](=O)[O-])cc3nc2/C=C(\O)c2ccc(C)cc2)cc1
InChIInChI=1S/C26H21N3O4/c1-16-3-7-18(8-4-16)25(30)14-23-24(15-26(31)19-9-5-17(2)6-10-19)28-22-13-20(29(32)33)11-12-21(22)27-23/h3-15,30-31H,1-2H3/b25-14-,26-15-
InChIKeyNMFAWSNZMBACCX-CPZPTNFUSA-N
XLogP6.27
TPSA109.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.47
LogP ≤ 56.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_66_C(2)', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of (Z)-2-[3-[(Z)-2-hydroxy-2-(4-methylphenyl)ethenyl]-6-nitroquinoxalin-2-yl]-1-(4-methylphenyl)ethenol?
The IUPAC name of (Z)-2-[3-[(Z)-2-hydroxy-2-(4-methylphenyl)ethenyl]-6-nitroquinoxalin-2-yl]-1-(4-methylphenyl)ethenol (CID 135481380) is (Z)-2-[3-[(Z)-2-hydroxy-2-(4-methylphenyl)ethenyl]-6-nitroquinoxalin-2-yl]-1-(4-methylphenyl)ethenol.
What is the SMILES notation for (Z)-2-[3-[(Z)-2-hydroxy-2-(4-methylphenyl)ethenyl]-6-nitroquinoxalin-2-yl]-1-(4-methylphenyl)ethenol?
The canonical SMILES for (Z)-2-[3-[(Z)-2-hydroxy-2-(4-methylphenyl)ethenyl]-6-nitroquinoxalin-2-yl]-1-(4-methylphenyl)ethenol is Cc1ccc(/C(O)=C/c2nc3ccc([N+](=O)[O-])cc3nc2/C=C(\O)c2ccc(C)cc2)cc1.
What is the InChIKey of (Z)-2-[3-[(Z)-2-hydroxy-2-(4-methylphenyl)ethenyl]-6-nitroquinoxalin-2-yl]-1-(4-methylphenyl)ethenol?
The InChIKey is NMFAWSNZMBACCX-CPZPTNFUSA-N. The full InChI is InChI=1S/C26H21N3O4/c1-16-3-7-18(8-4-16)25(30)14-23-24(15-26(31)19-9-5-17(2)6-10-19)28-22-13-20(29(32)33)11-12-21(22)27-23/h3-15,30-31H,1-2H3/b25-14-,26-15-.
What are the key properties of (Z)-2-[3-[(Z)-2-hydroxy-2-(4-methylphenyl)ethenyl]-6-nitroquinoxalin-2-yl]-1-(4-methylphenyl)ethenol?
(Z)-2-[3-[(Z)-2-hydroxy-2-(4-methylphenyl)ethenyl]-6-nitroquinoxalin-2-yl]-1-(4-methylphenyl)ethenol has a molecular weight of 439.47 g/mol, XLogP of 6.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[3-[(Z)-2-hydroxy-2-(4-methylphenyl)ethenyl]-6-nitroquinoxalin-2-yl]-1-(4-methylphenyl)ethenol is sourced from PubChem (CID 135481380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).