2-[2-[4-(4-hydroxyphenyl)butan-2-ylidene]hydrazinyl]-3-methylquinazolin-4-one

C19H20N4O2 — CID 71901782

IUPAC2-[2-[4-(4-hydroxyphenyl)butan-2-ylidene]hydrazinyl]-3-methylquinazolin-4-one
SMILESCC(CCc1ccc(O)cc1)=NNc1nc2ccccc2c(=O)n1C
InChIInChI=1S/C19H20N4O2/c1-13(7-8-14-9-11-15(24)12-10-14)21-22-19-20-17-6-4-3-5-16(17)18(25)23(19)2/h3-6,9-12,24H,7-8H2,1-2H3,(H,20,22)
InChIKeyZBKKOKSDFAOSIJ-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.06
Rot. Bonds5

About 2-[2-[4-(4-hydroxyphenyl)butan-2-ylidene]hydrazinyl]-3-methylquinazolin-4-one

2-[2-[4-(4-hydroxyphenyl)butan-2-ylidene]hydrazinyl]-3-methylquinazolin-4-one (PubChem CID 71901782) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-[2-[4-(4-hydroxyphenyl)butan-2-ylidene]hydrazinyl]-3-methylquinazolin-4-one.

Molecular Properties

Compound Name2-[2-[4-(4-hydroxyphenyl)butan-2-ylidene]hydrazinyl]-3-methylquinazolin-4-one
PubChem CID71901782
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name2-[2-[4-(4-hydroxyphenyl)butan-2-ylidene]hydrazinyl]-3-methylquinazolin-4-one
SMILESCC(CCc1ccc(O)cc1)=NNc1nc2ccccc2c(=O)n1C
InChIInChI=1S/C19H20N4O2/c1-13(7-8-14-9-11-15(24)12-10-14)21-22-19-20-17-6-4-3-5-16(17)18(25)23(19)2/h3-6,9-12,24H,7-8H2,1-2H3,(H,20,22)
InChIKeyZBKKOKSDFAOSIJ-UHFFFAOYSA-N
XLogP3.06
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.06
H-Bond Donors ≤ 52
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-[2-[4-(4-hydroxyphenyl)butan-2-ylidene]hydrazinyl]-3-methylquinazolin-4-one?
The IUPAC name of 2-[2-[4-(4-hydroxyphenyl)butan-2-ylidene]hydrazinyl]-3-methylquinazolin-4-one (CID 71901782) is 2-[2-[4-(4-hydroxyphenyl)butan-2-ylidene]hydrazinyl]-3-methylquinazolin-4-one.
What is the SMILES notation for 2-[2-[4-(4-hydroxyphenyl)butan-2-ylidene]hydrazinyl]-3-methylquinazolin-4-one?
The canonical SMILES for 2-[2-[4-(4-hydroxyphenyl)butan-2-ylidene]hydrazinyl]-3-methylquinazolin-4-one is CC(CCc1ccc(O)cc1)=NNc1nc2ccccc2c(=O)n1C.
What is the InChIKey of 2-[2-[4-(4-hydroxyphenyl)butan-2-ylidene]hydrazinyl]-3-methylquinazolin-4-one?
The InChIKey is ZBKKOKSDFAOSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13(7-8-14-9-11-15(24)12-10-14)21-22-19-20-17-6-4-3-5-16(17)18(25)23(19)2/h3-6,9-12,24H,7-8H2,1-2H3,(H,20,22).
What are the key properties of 2-[2-[4-(4-hydroxyphenyl)butan-2-ylidene]hydrazinyl]-3-methylquinazolin-4-one?
2-[2-[4-(4-hydroxyphenyl)butan-2-ylidene]hydrazinyl]-3-methylquinazolin-4-one has a molecular weight of 336.40 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-hydroxyphenyl)butan-2-ylidene]hydrazinyl]-3-methylquinazolin-4-one is sourced from PubChem (CID 71901782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).