2-[(2Z)-2-[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]hydrazinyl]-3-methylquinazolin-4-one

C25H22N4O2 — CID 11235248

IUPAC2-[(2Z)-2-[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]hydrazinyl]-3-methylquinazolin-4-one
SMILESCOc1ccc(/C=C/C(=N/Nc2nc3ccccc3c(=O)n2C)c2ccccc2)cc1
InChIInChI=1S/C25H22N4O2/c1-29-24(30)21-10-6-7-11-23(21)26-25(29)28-27-22(19-8-4-3-5-9-19)17-14-18-12-15-20(31-2)16-13-18/h3-17H,1-2H3,(H,26,28)/b17-14+,27-22-
InChIKeyXUPKPFRFQBADCH-RPUDOLOISA-N
MW410.48 g/mol
LogP4.47
Rot. Bonds6

About 2-[(2Z)-2-[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]hydrazinyl]-3-methylquinazolin-4-one

2-[(2Z)-2-[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]hydrazinyl]-3-methylquinazolin-4-one (PubChem CID 11235248) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is 2-[(2Z)-2-[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]hydrazinyl]-3-methylquinazolin-4-one.

Molecular Properties

Compound Name2-[(2Z)-2-[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]hydrazinyl]-3-methylquinazolin-4-one
PubChem CID11235248
Molecular FormulaC25H22N4O2
Molecular Weight410.48 g/mol
Exact Mass410.17
IUPAC Name2-[(2Z)-2-[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]hydrazinyl]-3-methylquinazolin-4-one
SMILESCOc1ccc(/C=C/C(=N/Nc2nc3ccccc3c(=O)n2C)c2ccccc2)cc1
InChIInChI=1S/C25H22N4O2/c1-29-24(30)21-10-6-7-11-23(21)26-25(29)28-27-22(19-8-4-3-5-9-19)17-14-18-12-15-20(31-2)16-13-18/h3-17H,1-2H3,(H,26,28)/b17-14+,27-22-
InChIKeyXUPKPFRFQBADCH-RPUDOLOISA-N
XLogP4.47
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 2-[(2Z)-2-[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]hydrazinyl]-3-methylquinazolin-4-one?
The IUPAC name of 2-[(2Z)-2-[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]hydrazinyl]-3-methylquinazolin-4-one (CID 11235248) is 2-[(2Z)-2-[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]hydrazinyl]-3-methylquinazolin-4-one.
What is the SMILES notation for 2-[(2Z)-2-[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]hydrazinyl]-3-methylquinazolin-4-one?
The canonical SMILES for 2-[(2Z)-2-[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]hydrazinyl]-3-methylquinazolin-4-one is COc1ccc(/C=C/C(=N/Nc2nc3ccccc3c(=O)n2C)c2ccccc2)cc1.
What is the InChIKey of 2-[(2Z)-2-[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]hydrazinyl]-3-methylquinazolin-4-one?
The InChIKey is XUPKPFRFQBADCH-RPUDOLOISA-N. The full InChI is InChI=1S/C25H22N4O2/c1-29-24(30)21-10-6-7-11-23(21)26-25(29)28-27-22(19-8-4-3-5-9-19)17-14-18-12-15-20(31-2)16-13-18/h3-17H,1-2H3,(H,26,28)/b17-14+,27-22-.
What are the key properties of 2-[(2Z)-2-[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]hydrazinyl]-3-methylquinazolin-4-one?
2-[(2Z)-2-[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]hydrazinyl]-3-methylquinazolin-4-one has a molecular weight of 410.48 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]hydrazinyl]-3-methylquinazolin-4-one is sourced from PubChem (CID 11235248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).