N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-2-(2-methyl-4-oxoquinazolin-3-yl)oxyacetamide

C18H16N4O5 — CID 136808328

IUPACN-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-2-(2-methyl-4-oxoquinazolin-3-yl)oxyacetamide
SMILESCc1nc2ccccc2c(=O)n1OCC(=O)N/N=C\c1ccc(O)c(O)c1
InChIInChI=1S/C18H16N4O5/c1-11-20-14-5-3-2-4-13(14)18(26)22(11)27-10-17(25)21-19-9-12-6-7-15(23)16(24)8-12/h2-9,23-24H,10H2,1H3,(H,21,25)/b19-9-
InChIKeyVKZWGOCEOALNNR-OCKHKDLRSA-N
MW368.35 g/mol
LogP0.70
Rot. Bonds5

About N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-2-(2-methyl-4-oxoquinazolin-3-yl)oxyacetamide

N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-2-(2-methyl-4-oxoquinazolin-3-yl)oxyacetamide (PubChem CID 136808328) has the molecular formula C18H16N4O5 and a molecular weight of 368.35 g/mol. Its IUPAC name is N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-2-(2-methyl-4-oxoquinazolin-3-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-2-(2-methyl-4-oxoquinazolin-3-yl)oxyacetamide
PubChem CID136808328
Molecular FormulaC18H16N4O5
Molecular Weight368.35 g/mol
Exact Mass368.11
IUPAC NameN-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-2-(2-methyl-4-oxoquinazolin-3-yl)oxyacetamide
SMILESCc1nc2ccccc2c(=O)n1OCC(=O)N/N=C\c1ccc(O)c(O)c1
InChIInChI=1S/C18H16N4O5/c1-11-20-14-5-3-2-4-13(14)18(26)22(11)27-10-17(25)21-19-9-12-6-7-15(23)16(24)8-12/h2-9,23-24H,10H2,1H3,(H,21,25)/b19-9-
InChIKeyVKZWGOCEOALNNR-OCKHKDLRSA-N
XLogP0.70
TPSA126.04 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', '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

N-[(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-2-(2-methyl-4-oxoquinazolin-3-yl)oxyacetamide
CID 5155192
N-[(E)-(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-2-(2-methyl-4-oxoquinazolin-3-yl)oxyacetamide
CID 135751960
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(2,6-dimethylphenoxy)acetamide
CID 135615101
ethyl 2-[2-[2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-4-oxoquinazolin-3-yl]oxyacetate
CID 1414830
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 135852679
N-[(3,4-dihydroxyphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 1240410
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 135544851
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-oxoquinazolin-3-yl)acetamide
CID 135541141
N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 1391309
N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 136801937
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-3-methyl-4-oxophthalazine-1-carboxamide
CID 135811255
3-[(3,4-dihydroxyphenyl)methylideneamino]-2-[(2-methylphenoxy)methyl]quinazolin-4-one
CID 1388574

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-2-(2-methyl-4-oxoquinazolin-3-yl)oxyacetamide?
The IUPAC name of N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-2-(2-methyl-4-oxoquinazolin-3-yl)oxyacetamide (CID 136808328) is N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-2-(2-methyl-4-oxoquinazolin-3-yl)oxyacetamide.
What is the SMILES notation for N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-2-(2-methyl-4-oxoquinazolin-3-yl)oxyacetamide?
The canonical SMILES for N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-2-(2-methyl-4-oxoquinazolin-3-yl)oxyacetamide is Cc1nc2ccccc2c(=O)n1OCC(=O)N/N=C\c1ccc(O)c(O)c1.
What is the InChIKey of N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-2-(2-methyl-4-oxoquinazolin-3-yl)oxyacetamide?
The InChIKey is VKZWGOCEOALNNR-OCKHKDLRSA-N. The full InChI is InChI=1S/C18H16N4O5/c1-11-20-14-5-3-2-4-13(14)18(26)22(11)27-10-17(25)21-19-9-12-6-7-15(23)16(24)8-12/h2-9,23-24H,10H2,1H3,(H,21,25)/b19-9-.
What are the key properties of N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-2-(2-methyl-4-oxoquinazolin-3-yl)oxyacetamide?
N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-2-(2-methyl-4-oxoquinazolin-3-yl)oxyacetamide has a molecular weight of 368.35 g/mol, XLogP of 0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-2-(2-methyl-4-oxoquinazolin-3-yl)oxyacetamide is sourced from PubChem (CID 136808328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).