3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-phenyl-1,2-dihydroquinazolin-4-one

C22H19N3O2 — CID 135455117

IUPAC3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-phenyl-1,2-dihydroquinazolin-4-one
SMILESC/C(=N\N1C(=O)c2ccccc2NC1c1ccccc1)c1ccccc1O
InChIInChI=1S/C22H19N3O2/c1-15(17-11-6-8-14-20(17)26)24-25-21(16-9-3-2-4-10-16)23-19-13-7-5-12-18(19)22(25)27/h2-14,21,23,26H,1H3/b24-15+
InChIKeyTXEVLGXTEJXXDR-BUVRLJJBSA-N
MW357.41 g/mol
LogP4.38
Rot. Bonds3

About 3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-phenyl-1,2-dihydroquinazolin-4-one

3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-phenyl-1,2-dihydroquinazolin-4-one (PubChem CID 135455117) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-phenyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-phenyl-1,2-dihydroquinazolin-4-one
PubChem CID135455117
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-phenyl-1,2-dihydroquinazolin-4-one
SMILESC/C(=N\N1C(=O)c2ccccc2NC1c1ccccc1)c1ccccc1O
InChIInChI=1S/C22H19N3O2/c1-15(17-11-6-8-14-20(17)26)24-25-21(16-9-3-2-4-10-16)23-19-13-7-5-12-18(19)22(25)27/h2-14,21,23,26H,1H3/b24-15+
InChIKeyTXEVLGXTEJXXDR-BUVRLJJBSA-N
XLogP4.38
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-phenyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-phenyl-1,2-dihydroquinazolin-4-one (CID 135455117) is 3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-phenyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-phenyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-phenyl-1,2-dihydroquinazolin-4-one is C/C(=N\N1C(=O)c2ccccc2NC1c1ccccc1)c1ccccc1O.
What is the InChIKey of 3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-phenyl-1,2-dihydroquinazolin-4-one?
The InChIKey is TXEVLGXTEJXXDR-BUVRLJJBSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-15(17-11-6-8-14-20(17)26)24-25-21(16-9-3-2-4-10-16)23-19-13-7-5-12-18(19)22(25)27/h2-14,21,23,26H,1H3/b24-15+.
What are the key properties of 3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-phenyl-1,2-dihydroquinazolin-4-one?
3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-phenyl-1,2-dihydroquinazolin-4-one has a molecular weight of 357.41 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-phenyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 135455117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).