N-[2-[(2-methylphenoxy)methyl]-4-oxoquinazolin-3-yl]-2-(1-thiophen-2-ylethylideneamino)oxyacetamide

C24H22N4O4S — CID 3507122

IUPACN-[2-[(2-methylphenoxy)methyl]-4-oxoquinazolin-3-yl]-2-(1-thiophen-2-ylethylideneamino)oxyacetamide
SMILESCC(=NOCC(=O)Nn1c(COc2ccccc2C)nc2ccccc2c1=O)c1cccs1
InChIInChI=1S/C24H22N4O4S/c1-16-8-3-6-11-20(16)31-14-22-25-19-10-5-4-9-18(19)24(30)28(22)26-23(29)15-32-27-17(2)21-12-7-13-33-21/h3-13H,14-15H2,1-2H3,(H,26,29)
InChIKeyIZUFSMIJHJLQFY-UHFFFAOYSA-N
MW462.53 g/mol
LogP3.86
Rot. Bonds8

About N-[2-[(2-methylphenoxy)methyl]-4-oxoquinazolin-3-yl]-2-(1-thiophen-2-ylethylideneamino)oxyacetamide

N-[2-[(2-methylphenoxy)methyl]-4-oxoquinazolin-3-yl]-2-(1-thiophen-2-ylethylideneamino)oxyacetamide (PubChem CID 3507122) has the molecular formula C24H22N4O4S and a molecular weight of 462.53 g/mol. Its IUPAC name is N-[2-[(2-methylphenoxy)methyl]-4-oxoquinazolin-3-yl]-2-(1-thiophen-2-ylethylideneamino)oxyacetamide.

Molecular Properties

Compound NameN-[2-[(2-methylphenoxy)methyl]-4-oxoquinazolin-3-yl]-2-(1-thiophen-2-ylethylideneamino)oxyacetamide
PubChem CID3507122
Molecular FormulaC24H22N4O4S
Molecular Weight462.53 g/mol
Exact Mass462.14
IUPAC NameN-[2-[(2-methylphenoxy)methyl]-4-oxoquinazolin-3-yl]-2-(1-thiophen-2-ylethylideneamino)oxyacetamide
SMILESCC(=NOCC(=O)Nn1c(COc2ccccc2C)nc2ccccc2c1=O)c1cccs1
InChIInChI=1S/C24H22N4O4S/c1-16-8-3-6-11-20(16)31-14-22-25-19-10-5-4-9-18(19)24(30)28(22)26-23(29)15-32-27-17(2)21-12-7-13-33-21/h3-13H,14-15H2,1-2H3,(H,26,29)
InChIKeyIZUFSMIJHJLQFY-UHFFFAOYSA-N
XLogP3.86
TPSA94.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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Related Compounds

2-[(2-methylphenoxy)methyl]-3-[(E)-thiophen-2-ylmethylideneamino]quinazolin-4-one
CID 6901031
N-(4-oxo-2-thiophen-2-ylquinazolin-3-yl)acetamide
CID 15046298
2-methyl-3-(1-thiophen-2-ylethylideneamino)quinazolin-4-one
CID 4863812
N-(4-methylphenyl)-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide
CID 5410197
2-naphthalen-1-yloxy-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide
CID 5406666
3-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(2-methylphenoxy)methyl]quinazolin-4-one
CID 135549874
N-(2,6-diethylphenyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide
CID 827833
N-(2,6-diethylphenyl)-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide
CID 5410038
2-anilino-N-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]acetamide
CID 172639985
N-(2,4-dimethylphenyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide
CID 827694
N-[2-(2-methylpropyl)-4-oxoquinazolin-3-yl]-2-phenylacetamide
CID 70838498
2-[2-[(2-methylphenoxy)methyl]-4-oxoquinazolin-3-yl]ethyl 2-[(4-methoxyphenyl)methylideneamino]oxyacetate
CID 3875662

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methylphenoxy)methyl]-4-oxoquinazolin-3-yl]-2-(1-thiophen-2-ylethylideneamino)oxyacetamide?
The IUPAC name of N-[2-[(2-methylphenoxy)methyl]-4-oxoquinazolin-3-yl]-2-(1-thiophen-2-ylethylideneamino)oxyacetamide (CID 3507122) is N-[2-[(2-methylphenoxy)methyl]-4-oxoquinazolin-3-yl]-2-(1-thiophen-2-ylethylideneamino)oxyacetamide.
What is the SMILES notation for N-[2-[(2-methylphenoxy)methyl]-4-oxoquinazolin-3-yl]-2-(1-thiophen-2-ylethylideneamino)oxyacetamide?
The canonical SMILES for N-[2-[(2-methylphenoxy)methyl]-4-oxoquinazolin-3-yl]-2-(1-thiophen-2-ylethylideneamino)oxyacetamide is CC(=NOCC(=O)Nn1c(COc2ccccc2C)nc2ccccc2c1=O)c1cccs1.
What is the InChIKey of N-[2-[(2-methylphenoxy)methyl]-4-oxoquinazolin-3-yl]-2-(1-thiophen-2-ylethylideneamino)oxyacetamide?
The InChIKey is IZUFSMIJHJLQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4S/c1-16-8-3-6-11-20(16)31-14-22-25-19-10-5-4-9-18(19)24(30)28(22)26-23(29)15-32-27-17(2)21-12-7-13-33-21/h3-13H,14-15H2,1-2H3,(H,26,29).
What are the key properties of N-[2-[(2-methylphenoxy)methyl]-4-oxoquinazolin-3-yl]-2-(1-thiophen-2-ylethylideneamino)oxyacetamide?
N-[2-[(2-methylphenoxy)methyl]-4-oxoquinazolin-3-yl]-2-(1-thiophen-2-ylethylideneamino)oxyacetamide has a molecular weight of 462.53 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methylphenoxy)methyl]-4-oxoquinazolin-3-yl]-2-(1-thiophen-2-ylethylideneamino)oxyacetamide is sourced from PubChem (CID 3507122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).