3-[[(Z)-1-hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl]diazenyl]pyrido[1,2-a]pyrimidin-4-one

C23H16N4O3 — CID 135767018

IUPAC3-[[(Z)-1-hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl]diazenyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(C(/N=N/c1cnc2ccccn2c1=O)=C(/O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H16N4O3/c28-21(16-9-3-1-4-10-16)20(22(29)17-11-5-2-6-12-17)26-25-18-15-24-19-13-7-8-14-27(19)23(18)30/h1-15,28H/b21-20-,26-25+
InChIKeyKUYSCNSKYMSUDN-SDEHWINOSA-N
MW396.41 g/mol
LogP4.59
Rot. Bonds5

About 3-[[(Z)-1-hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl]diazenyl]pyrido[1,2-a]pyrimidin-4-one

3-[[(Z)-1-hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl]diazenyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 135767018) has the molecular formula C23H16N4O3 and a molecular weight of 396.41 g/mol. Its IUPAC name is 3-[[(Z)-1-hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl]diazenyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[(Z)-1-hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl]diazenyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID135767018
Molecular FormulaC23H16N4O3
Molecular Weight396.41 g/mol
Exact Mass396.12
IUPAC Name3-[[(Z)-1-hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl]diazenyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(C(/N=N/c1cnc2ccccn2c1=O)=C(/O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H16N4O3/c28-21(16-9-3-1-4-10-16)20(22(29)17-11-5-2-6-12-17)26-25-18-15-24-19-13-7-8-14-27(19)23(18)30/h1-15,28H/b21-20-,26-25+
InChIKeyKUYSCNSKYMSUDN-SDEHWINOSA-N
XLogP4.59
TPSA96.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[(Z)-1-hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl]diazenyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[[(Z)-1-hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl]diazenyl]pyrido[1,2-a]pyrimidin-4-one (CID 135767018) is 3-[[(Z)-1-hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl]diazenyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[[(Z)-1-hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl]diazenyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[[(Z)-1-hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl]diazenyl]pyrido[1,2-a]pyrimidin-4-one is O=C(C(/N=N/c1cnc2ccccn2c1=O)=C(/O)c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[[(Z)-1-hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl]diazenyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is KUYSCNSKYMSUDN-SDEHWINOSA-N. The full InChI is InChI=1S/C23H16N4O3/c28-21(16-9-3-1-4-10-16)20(22(29)17-11-5-2-6-12-17)26-25-18-15-24-19-13-7-8-14-27(19)23(18)30/h1-15,28H/b21-20-,26-25+.
What are the key properties of 3-[[(Z)-1-hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl]diazenyl]pyrido[1,2-a]pyrimidin-4-one?
3-[[(Z)-1-hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl]diazenyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 396.41 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(Z)-1-hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl]diazenyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 135767018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).