2-[(2Z)-2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one

C22H18N4O2 — CID 136920869

IUPAC2-[(2Z)-2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
SMILESCOc1ccc2ccccc2c1/C=N\Nc1nc(-c2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C22H18N4O2/c1-28-20-12-11-15-7-5-6-10-17(15)18(20)14-23-26-22-24-19(13-21(27)25-22)16-8-3-2-4-9-16/h2-14H,1H3,(H2,24,25,26,27)/b23-14-
InChIKeyNTKWPMFLHULQKE-UCQKPKSFSA-N
MW370.41 g/mol
LogP4.04
Rot. Bonds5

About 2-[(2Z)-2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one

2-[(2Z)-2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one (PubChem CID 136920869) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-[(2Z)-2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2Z)-2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
PubChem CID136920869
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name2-[(2Z)-2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
SMILESCOc1ccc2ccccc2c1/C=N\Nc1nc(-c2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C22H18N4O2/c1-28-20-12-11-15-7-5-6-10-17(15)18(20)14-23-26-22-24-19(13-21(27)25-22)16-8-3-2-4-9-16/h2-14H,1H3,(H2,24,25,26,27)/b23-14-
InChIKeyNTKWPMFLHULQKE-UCQKPKSFSA-N
XLogP4.04
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.04
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

4-ethyl-2-[(2Z)-2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 136787623
2-[(2Z)-2-[(3-methoxy-4-propoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136920862
2-[(2Z)-2-[(1-ethyl-2-methylindol-3-yl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136788254
2-[(2Z)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136920913
2-[(2Z)-2-[(3,4-dimethoxy-5-nitrophenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136788195
2-[(2E)-2-[(4-ethylphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136732974
2-[(2E)-2-[(5-bromo-2-ethoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136733725
2-[(2E)-2-[(2,7-dimethoxynaphthalen-1-yl)methylidene]hydrazinyl]-3H-quinazolin-4-one
CID 135697091
2-[(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one
CID 136788418
N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 6890833
2-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136733134
2-[(2E)-2-[(4-butoxy-3-ethoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136733579

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2Z)-2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one (CID 136920869) is 2-[(2Z)-2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2Z)-2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2Z)-2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one is COc1ccc2ccccc2c1/C=N\Nc1nc(-c2ccccc2)cc(=O)[nH]1.
What is the InChIKey of 2-[(2Z)-2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one?
The InChIKey is NTKWPMFLHULQKE-UCQKPKSFSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-28-20-12-11-15-7-5-6-10-17(15)18(20)14-23-26-22-24-19(13-21(27)25-22)16-8-3-2-4-9-16/h2-14H,1H3,(H2,24,25,26,27)/b23-14-.
What are the key properties of 2-[(2Z)-2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one?
2-[(2Z)-2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one has a molecular weight of 370.41 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136920869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).