2-[(2E)-2-[(2,7-dimethoxynaphthalen-1-yl)methylidene]hydrazinyl]-3H-quinazolin-4-one

C21H18N4O3 — CID 135697091

IUPAC2-[(2E)-2-[(2,7-dimethoxynaphthalen-1-yl)methylidene]hydrazinyl]-3H-quinazolin-4-one
SMILESCOc1ccc2ccc(OC)c(/C=N/Nc3nc4ccccc4c(=O)[nH]3)c2c1
InChIInChI=1S/C21H18N4O3/c1-27-14-9-7-13-8-10-19(28-2)17(16(13)11-14)12-22-25-21-23-18-6-4-3-5-15(18)20(26)24-21/h3-12H,1-2H3,(H2,23,24,25,26)/b22-12+
InChIKeyJEQGLJWLWXDSKU-WSDLNYQXSA-N
MW374.40 g/mol
LogP3.54
Rot. Bonds5

About 2-[(2E)-2-[(2,7-dimethoxynaphthalen-1-yl)methylidene]hydrazinyl]-3H-quinazolin-4-one

2-[(2E)-2-[(2,7-dimethoxynaphthalen-1-yl)methylidene]hydrazinyl]-3H-quinazolin-4-one (PubChem CID 135697091) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-[(2E)-2-[(2,7-dimethoxynaphthalen-1-yl)methylidene]hydrazinyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(2E)-2-[(2,7-dimethoxynaphthalen-1-yl)methylidene]hydrazinyl]-3H-quinazolin-4-one
PubChem CID135697091
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Name2-[(2E)-2-[(2,7-dimethoxynaphthalen-1-yl)methylidene]hydrazinyl]-3H-quinazolin-4-one
SMILESCOc1ccc2ccc(OC)c(/C=N/Nc3nc4ccccc4c(=O)[nH]3)c2c1
InChIInChI=1S/C21H18N4O3/c1-27-14-9-7-13-8-10-19(28-2)17(16(13)11-14)12-22-25-21-23-18-6-4-3-5-15(18)20(26)24-21/h3-12H,1-2H3,(H2,23,24,25,26)/b22-12+
InChIKeyJEQGLJWLWXDSKU-WSDLNYQXSA-N
XLogP3.54
TPSA88.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.54
H-Bond Donors ≤ 52
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-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one
CID 135697070
N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]aniline
CID 126015225
2-[(2Z)-2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136920869
4-ethyl-2-[(2Z)-2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 136787623
2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one
CID 135433330
N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]naphthalen-2-amine
CID 6024957
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
2-(3-chloro-4-methoxyanilino)-3H-quinazolin-4-one
CID 135713751
2-[2-[[2-(2,5-dimethoxyphenyl)sulfanyl-6-methoxyphenyl]methylidene]hydrazinyl]-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile
CID 168571641
N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]-4-methoxybenzamide
CID 126012683
N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]acridin-9-amine
CID 44715025

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-[(2,7-dimethoxynaphthalen-1-yl)methylidene]hydrazinyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[(2E)-2-[(2,7-dimethoxynaphthalen-1-yl)methylidene]hydrazinyl]-3H-quinazolin-4-one (CID 135697091) is 2-[(2E)-2-[(2,7-dimethoxynaphthalen-1-yl)methylidene]hydrazinyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(2E)-2-[(2,7-dimethoxynaphthalen-1-yl)methylidene]hydrazinyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(2E)-2-[(2,7-dimethoxynaphthalen-1-yl)methylidene]hydrazinyl]-3H-quinazolin-4-one is COc1ccc2ccc(OC)c(/C=N/Nc3nc4ccccc4c(=O)[nH]3)c2c1.
What is the InChIKey of 2-[(2E)-2-[(2,7-dimethoxynaphthalen-1-yl)methylidene]hydrazinyl]-3H-quinazolin-4-one?
The InChIKey is JEQGLJWLWXDSKU-WSDLNYQXSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-27-14-9-7-13-8-10-19(28-2)17(16(13)11-14)12-22-25-21-23-18-6-4-3-5-15(18)20(26)24-21/h3-12H,1-2H3,(H2,23,24,25,26)/b22-12+.
What are the key properties of 2-[(2E)-2-[(2,7-dimethoxynaphthalen-1-yl)methylidene]hydrazinyl]-3H-quinazolin-4-one?
2-[(2E)-2-[(2,7-dimethoxynaphthalen-1-yl)methylidene]hydrazinyl]-3H-quinazolin-4-one has a molecular weight of 374.40 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-[(2,7-dimethoxynaphthalen-1-yl)methylidene]hydrazinyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135697091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).