2-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one

C16H14N4O2 — CID 135697070

IUPAC2-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one
SMILESCOc1ccccc1/C=N/Nc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C16H14N4O2/c1-22-14-9-5-2-6-11(14)10-17-20-16-18-13-8-4-3-7-12(13)15(21)19-16/h2-10H,1H3,(H2,18,19,20,21)/b17-10+
InChIKeyUKJGCNWMQQTRAY-LICLKQGHSA-N
MW294.31 g/mol
LogP2.38
Rot. Bonds4

About 2-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one

2-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one (PubChem CID 135697070) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one
PubChem CID135697070
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name2-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one
SMILESCOc1ccccc1/C=N/Nc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C16H14N4O2/c1-22-14-9-5-2-6-11(14)10-17-20-16-18-13-8-4-3-7-12(13)15(21)19-16/h2-10H,1H3,(H2,18,19,20,21)/b17-10+
InChIKeyUKJGCNWMQQTRAY-LICLKQGHSA-N
XLogP2.38
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(2E)-2-[(2,7-dimethoxynaphthalen-1-yl)methylidene]hydrazinyl]-3H-quinazolin-4-one
CID 135697091
2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one
CID 135433330
2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one
CID 137030483
2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one
CID 135719981
N-[(4,8-dimethoxynaphthalen-1-yl)methylideneamino]-1H-benzimidazol-2-amine
CID 3712194
N-[(E)-(2-methoxyphenyl)methylideneamino]-2-(trichloromethyl)quinazolin-4-amine
CID 21234889
N-[(Z)-(2-ethoxy-3-methoxyphenyl)methylideneamino]-4-[(4-oxo-3H-quinazolin-2-yl)amino]benzamide
CID 136781481
2-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one
CID 135697078
2-[(2Z)-2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]hydrazinyl]-3H-quinazolin-4-one
CID 135736282
2-[(2E)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrimidin-6-one
CID 5335657
2-(3-chloro-4-methoxyanilino)-3H-quinazolin-4-one
CID 135713751
N-[(Z)-[2-(2-methylpropoxy)phenyl]methylideneamino]-4-[(4-oxo-3H-quinazolin-2-yl)amino]benzamide
CID 136781488

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one (CID 135697070) is 2-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one is COc1ccccc1/C=N/Nc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one?
The InChIKey is UKJGCNWMQQTRAY-LICLKQGHSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-22-14-9-5-2-6-11(14)10-17-20-16-18-13-8-4-3-7-12(13)15(21)19-16/h2-10H,1H3,(H2,18,19,20,21)/b17-10+.
What are the key properties of 2-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one?
2-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one has a molecular weight of 294.31 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135697070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).