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

C18H16N4O3 — CID 6863210

IUPACN-[(E)-(4-methoxyphenyl)methylideneamino]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCOc1ccc(/C=N/NC(=O)Cn2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C18H16N4O3/c1-25-14-8-6-13(7-9-14)10-20-21-17(23)11-22-12-19-16-5-3-2-4-15(16)18(22)24/h2-10,12H,11H2,1H3,(H,21,23)/b20-10+
InChIKeyXXWLQBZMFDRSEW-KEBDBYFISA-N
MW336.35 g/mol
LogP1.56
Rot. Bonds5

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

N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 6863210) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-(4-methoxyphenyl)methylideneamino]-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID6863210
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC NameN-[(E)-(4-methoxyphenyl)methylideneamino]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCOc1ccc(/C=N/NC(=O)Cn2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C18H16N4O3/c1-25-14-8-6-13(7-9-14)10-20-21-17(23)11-22-12-19-16-5-3-2-4-15(16)18(22)24/h2-10,12H,11H2,1H3,(H,21,23)/b20-10+
InChIKeyXXWLQBZMFDRSEW-KEBDBYFISA-N
XLogP1.56
TPSA85.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(4-Methoxyphenyl)quinazolin-4-ol
CID 135430309
N-(3-Methoxybenzyl)-4-Oxo-3,4-Dihydroquinazoline-2-Carboxamide
CID 135566625
4-methoxy-N-(2-methyl-4-oxoquinazolin-3(4H)-yl)benzamide
CID 742907
3-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 6894412
N-[(4-methoxyphenyl)methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 772663
4(3H)-Quinazolinone, 3-(((4-methoxyphenyl)methylene)amino)-2-phenyl-
CID 9571030
3-[2-(4-Ethoxyphenyl)-2-oxoethyl]quinazolin-4-one
CID 4809024
T5567366
CID 7874936
2-(4-methoxyphenyl)-N-(4-oxo-2-phenylquinazolin-3(4H)-yl)acetamide
CID 1934406
3-amino-2-(4-methoxyphenyl)quinazolin-4(3H)-one
CID 805109
N-[2-(4-methoxyphenyl)-4-oxoquinazolin-3(4H)-yl]-2-phenylacetamide
CID 1213351
N~1~-(2-methoxybenzyl)-N~3~-[(4-oxoquinazolin-3(4H)-yl)acetyl]-beta-alaninamide
CID 3245794

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(4-oxoquinazolin-3-yl)acetamide (CID 6863210) is N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(4-oxoquinazolin-3-yl)acetamide is COc1ccc(/C=N/NC(=O)Cn2cnc3ccccc3c2=O)cc1.
What is the InChIKey of N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is XXWLQBZMFDRSEW-KEBDBYFISA-N. The full InChI is InChI=1S/C18H16N4O3/c1-25-14-8-6-13(7-9-14)10-20-21-17(23)11-22-12-19-16-5-3-2-4-15(16)18(22)24/h2-10,12H,11H2,1H3,(H,21,23)/b20-10+.
What are the key properties of N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(4-oxoquinazolin-3-yl)acetamide?
N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 336.35 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 6863210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).