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

C22H19N3O2 — CID 136882713

IUPAC(2S)-3-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-phenyl-1,2-dihydroquinazolin-4-one
SMILESC/C(=N/N1C(=O)c2ccccc2N[C@@H]1c1ccccc1)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-/t21-/m0/s1
InChIKeyTXEVLGXTEJXXDR-UCHNXLLDSA-N
MW357.41 g/mol
LogP4.38
Rot. Bonds3

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

(2S)-3-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-phenyl-1,2-dihydroquinazolin-4-one (PubChem CID 136882713) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is (2S)-3-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-phenyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2S)-3-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-phenyl-1,2-dihydroquinazolin-4-one
PubChem CID136882713
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name(2S)-3-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-phenyl-1,2-dihydroquinazolin-4-one
SMILESC/C(=N/N1C(=O)c2ccccc2N[C@@H]1c1ccccc1)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-/t21-/m0/s1
InChIKeyTXEVLGXTEJXXDR-UCHNXLLDSA-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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Related Compounds

(2S)-2-(3-chlorophenyl)-3-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-1,2-dihydroquinazolin-4-one
CID 136747752
2-(3-ethoxy-4-hydroxyphenyl)-3-[1-(2-hydroxyphenyl)ethylideneamino]-1,2-dihydroquinazolin-4-one
CID 2900984
copper;2-phenyl-3-[(E)-1-pyridin-2-ylethylideneamino]-1,2-dihydroquinazolin-4-one;dichloride
CID 46861760
2-(4-fluorophenyl)-3-[(E)-1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]-1,2-dihydroquinazolin-4-one
CID 155810584
(2S)-3-hydroxy-2-phenyl-1,2-dihydroquinazolin-4-one
CID 692260
3-[(E)-(4-fluorophenyl)methylideneamino]-2-phenyl-1,2-dihydroquinazolin-4-one
CID 46906352
(2S)-2-(4-hydroxyphenyl)-3-[(Z)-(4-hydroxyphenyl)methylideneamino]-1,2-dihydroquinazolin-4-one
CID 136765479
(2S)-2-(4-hydroxyphenyl)-3-[(E)-(4-hydroxyphenyl)methylideneamino]-1,2-dihydroquinazolin-4-one
CID 135572008
(2S)-3-(4-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one
CID 7331947
3-(4-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one
CID 3112058
3-[(2-bromophenyl)methylideneamino]-2-phenyl-1,2-dihydroquinazolin-4-one
CID 174843474
N-[4-[(2S)-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl]phenyl]acetamide
CID 41064100

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-phenyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2S)-3-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-phenyl-1,2-dihydroquinazolin-4-one (CID 136882713) is (2S)-3-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-phenyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2S)-3-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-phenyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2S)-3-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-phenyl-1,2-dihydroquinazolin-4-one is C/C(=N/N1C(=O)c2ccccc2N[C@@H]1c1ccccc1)c1ccccc1O.
What is the InChIKey of (2S)-3-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-phenyl-1,2-dihydroquinazolin-4-one?
The InChIKey is TXEVLGXTEJXXDR-UCHNXLLDSA-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-/t21-/m0/s1.
What are the key properties of (2S)-3-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-phenyl-1,2-dihydroquinazolin-4-one?
(2S)-3-[(Z)-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 (2S)-3-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-phenyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 136882713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).