N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide

C19H18N4O4 — CID 155755483

IUPACN-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCOc1ccc(/C=N/NC(=O)Cn2cnc3ccc(C)cc3c2=O)c(O)c1
InChIInChI=1S/C19H18N4O4/c1-12-3-6-16-15(7-12)19(26)23(11-20-16)10-18(25)22-21-9-13-4-5-14(27-2)8-17(13)24/h3-9,11,24H,10H2,1-2H3,(H,22,25)/b21-9+
InChIKeyJWOSGGSJHMAITD-ZVBGSRNCSA-N
MW366.38 g/mol
LogP1.57
Rot. Bonds5

About N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide

N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide (PubChem CID 155755483) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide
PubChem CID155755483
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC NameN-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCOc1ccc(/C=N/NC(=O)Cn2cnc3ccc(C)cc3c2=O)c(O)c1
InChIInChI=1S/C19H18N4O4/c1-12-3-6-16-15(7-12)19(26)23(11-20-16)10-18(25)22-21-9-13-4-5-14(27-2)8-17(13)24/h3-9,11,24H,10H2,1-2H3,(H,22,25)/b21-9+
InChIKeyJWOSGGSJHMAITD-ZVBGSRNCSA-N
XLogP1.57
TPSA105.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 51.57
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

2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
CID 155755499
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-oxoquinazolin-3-yl)acetamide
CID 135541141
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(1,3-dimethyl-2,6-dioxopurin-9-yl)acetamide
CID 135614243
2-(2,6-dibromo-4-methylphenoxy)-N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]acetamide
CID 135688670
2-(6-methyl-4-oxoquinazolin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 46484361
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetamide
CID 135468605
2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 5451930
3-(3,3-dimethyl-2-oxobutyl)-6-methylquinazolin-4-one
CID 47037899
8-[(2E)-2-[(2-hydroxy-4-methoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid
CID 135665742
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 7587587
N-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide
CID 135726599
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(3-methoxyphenyl)acetamide
CID 46584174

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide (CID 155755483) is N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide is COc1ccc(/C=N/NC(=O)Cn2cnc3ccc(C)cc3c2=O)c(O)c1.
What is the InChIKey of N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is JWOSGGSJHMAITD-ZVBGSRNCSA-N. The full InChI is InChI=1S/C19H18N4O4/c1-12-3-6-16-15(7-12)19(26)23(11-20-16)10-18(25)22-21-9-13-4-5-14(27-2)8-17(13)24/h3-9,11,24H,10H2,1-2H3,(H,22,25)/b21-9+.
What are the key properties of N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide?
N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 366.38 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 155755483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).