N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(6-methyl-4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide

C24H20N4O3S — CID 135491383

IUPACN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(6-methyl-4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
SMILESCc1ccc2nc(SCC(=O)N/N=C/c3ccccc3O)n(-c3ccccc3)c(=O)c2c1
InChIInChI=1S/C24H20N4O3S/c1-16-11-12-20-19(13-16)23(31)28(18-8-3-2-4-9-18)24(26-20)32-15-22(30)27-25-14-17-7-5-6-10-21(17)29/h2-14,29H,15H2,1H3,(H,27,30)/b25-14+
InChIKeyDKGRWJHZCSAMMR-AFUMVMLFSA-N
MW444.52 g/mol
LogP3.64
Rot. Bonds6

About N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(6-methyl-4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide

N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(6-methyl-4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide (PubChem CID 135491383) has the molecular formula C24H20N4O3S and a molecular weight of 444.52 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(6-methyl-4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(6-methyl-4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
PubChem CID135491383
Molecular FormulaC24H20N4O3S
Molecular Weight444.52 g/mol
Exact Mass444.13
IUPAC NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(6-methyl-4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
SMILESCc1ccc2nc(SCC(=O)N/N=C/c3ccccc3O)n(-c3ccccc3)c(=O)c2c1
InChIInChI=1S/C24H20N4O3S/c1-16-11-12-20-19(13-16)23(31)28(18-8-3-2-4-9-18)24(26-20)32-15-22(30)27-25-14-17-7-5-6-10-21(17)29/h2-14,29H,15H2,1H3,(H,27,30)/b25-14+
InChIKeyDKGRWJHZCSAMMR-AFUMVMLFSA-N
XLogP3.64
TPSA96.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.52
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-{[(E)-(2-hydroxyphenyl)methylidene]amino}-2-phenyl-4(3H)-quinazolinone
CID 135539638
N'-[(E)-(3-hydroxyphenyl)methylidene]-2-{[3-(2-methylprop-2-en-1-yl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetohydrazide
CID 6870854
N'-[(E)-(2-hydroxynaphthalen-1-yl)methylidene]-2-{[3-(2-methylprop-2-en-1-yl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetohydrazide
CID 135517152
2-[2-[(E)-[[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 6865455
Benzoic acid, 4-((((2-methyl-4-oxo-3(4H)-quinazolinyl)imino)phenylmethyl)azo)-, ((2-hydroxyphenyl)methylene)hydrazide
CID 136106218
N'-[(E)-(2-ethoxyphenyl)methylidene]-2-{[3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetohydrazide
CID 6878531
2-hydroxy-N-[(E)-1-[4-[[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]phenyl]ethylideneamino]benzamide
CID 162644201
N-[4-[[(2-hydroxybenzoyl)amino]carbamoyl]phenyl]-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 162651856
2-hydroxy-N-[(E)-1-[4-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]phenyl]ethylideneamino]benzamide
CID 177374026
(E)-N'-(4-hydroxybenzylidene)-2-((3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetohydrazide
CID 135651189
N-[(E)-(4-methoxyphenyl)methyleneamino]-2-(6-methyl-4-oxo-3-phenyl-quinazolin-2-yl)sulfanyl-acetamide
CID 9604672
N-[(E)-(3-methoxyphenyl)methyleneamino]-2-(6-methyl-4-oxo-3-phenyl-quinazolin-2-yl)sulfanyl-acetamide
CID 9604673

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(6-methyl-4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide?
The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(6-methyl-4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide (CID 135491383) is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(6-methyl-4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(6-methyl-4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(6-methyl-4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide is Cc1ccc2nc(SCC(=O)N/N=C/c3ccccc3O)n(-c3ccccc3)c(=O)c2c1.
What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(6-methyl-4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide?
The InChIKey is DKGRWJHZCSAMMR-AFUMVMLFSA-N. The full InChI is InChI=1S/C24H20N4O3S/c1-16-11-12-20-19(13-16)23(31)28(18-8-3-2-4-9-18)24(26-20)32-15-22(30)27-25-14-17-7-5-6-10-21(17)29/h2-14,29H,15H2,1H3,(H,27,30)/b25-14+.
What are the key properties of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(6-methyl-4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide?
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(6-methyl-4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide has a molecular weight of 444.52 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(6-methyl-4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 135491383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).