1-[(E)-C-(6-methoxy-2-phenylpyrimidin-4-yl)carbonohydrazonoyl]naphthalen-2-ol

C22H18N4O2 — CID 135801726

IUPAC1-[(E)-C-(6-methoxy-2-phenylpyrimidin-4-yl)carbonohydrazonoyl]naphthalen-2-ol
SMILESCOc1cc(/C(=N/N)c2c(O)ccc3ccccc23)nc(-c2ccccc2)n1
InChIInChI=1S/C22H18N4O2/c1-28-19-13-17(24-22(25-19)15-8-3-2-4-9-15)21(26-23)20-16-10-6-5-7-14(16)11-12-18(20)27/h2-13,27H,23H2,1H3/b26-21-
InChIKeyIDDXVSFSIGIXFB-QLYXXIJNSA-N
MW370.41 g/mol
LogP3.72
Rot. Bonds4

About 1-[(E)-C-(6-methoxy-2-phenylpyrimidin-4-yl)carbonohydrazonoyl]naphthalen-2-ol

1-[(E)-C-(6-methoxy-2-phenylpyrimidin-4-yl)carbonohydrazonoyl]naphthalen-2-ol (PubChem CID 135801726) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 1-[(E)-C-(6-methoxy-2-phenylpyrimidin-4-yl)carbonohydrazonoyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(E)-C-(6-methoxy-2-phenylpyrimidin-4-yl)carbonohydrazonoyl]naphthalen-2-ol
PubChem CID135801726
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name1-[(E)-C-(6-methoxy-2-phenylpyrimidin-4-yl)carbonohydrazonoyl]naphthalen-2-ol
SMILESCOc1cc(/C(=N/N)c2c(O)ccc3ccccc23)nc(-c2ccccc2)n1
InChIInChI=1S/C22H18N4O2/c1-28-19-13-17(24-22(25-19)15-8-3-2-4-9-15)21(26-23)20-16-10-6-5-7-14(16)11-12-18(20)27/h2-13,27H,23H2,1H3/b26-21-
InChIKeyIDDXVSFSIGIXFB-QLYXXIJNSA-N
XLogP3.72
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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-[4-(2-Methoxy-4-methylphenoxy)quinazolin-1-ium-2-yl]phenolate
CID 1398255
4-[4-[3-(2,4-Diamino-6-ethyl-pyrimidin-5-yl)-1-methyl-prop-2-ynyl]-3-methoxy-phenyl]phenol
CID 86577948
1-(4-Methoxyphenyl)-1-(2-phenylquinazolin-4-yl)ethanol
CID 102315594
2-[4-Methyl-6-(4-methylphenoxy)pyrimidin-2-yl]phenol
CID 747888
2-[4-(2,3-Dimethylphenoxy)-2-quinazolinyl]-6-methoxyphenol
CID 3723683
1-{[2-(2-Hydroxy-phenyl)-6-methyl-pyrimidin-4-yl]-hydrazonomethyl}-naphthalen-2-ol
CID 135443068
2-[5-(4-Methoxy-3-methylphenyl)-2-methylpyrimidin-4-yl]phenol
CID 135960808
2-[4-[1-Hydroxy-1-(4-methoxyphenyl)ethyl]quinazolin-2-yl]phenol
CID 156022212
4-[2-Phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]benzene-1,3-diol
CID 162670564
3-[1-[[6-(3-Methoxy-4-methylphenyl)-2-methylpyrimidin-4-yl]amino]ethyl]phenol
CID 70976989
4-Methoxy-2-[2-phenyl-6-(1,1,2,2-tetrafluoroethyl)pyrimidin-4-yl]phenol
CID 3297297
1-(4-Hydroxy-3-methylphenyl)ethanone (6-methoxy-2-phenyl-4-pyrimidinyl)hydrazone
CID 135455072

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-C-(6-methoxy-2-phenylpyrimidin-4-yl)carbonohydrazonoyl]naphthalen-2-ol?
The IUPAC name of 1-[(E)-C-(6-methoxy-2-phenylpyrimidin-4-yl)carbonohydrazonoyl]naphthalen-2-ol (CID 135801726) is 1-[(E)-C-(6-methoxy-2-phenylpyrimidin-4-yl)carbonohydrazonoyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(E)-C-(6-methoxy-2-phenylpyrimidin-4-yl)carbonohydrazonoyl]naphthalen-2-ol?
The canonical SMILES for 1-[(E)-C-(6-methoxy-2-phenylpyrimidin-4-yl)carbonohydrazonoyl]naphthalen-2-ol is COc1cc(/C(=N/N)c2c(O)ccc3ccccc23)nc(-c2ccccc2)n1.
What is the InChIKey of 1-[(E)-C-(6-methoxy-2-phenylpyrimidin-4-yl)carbonohydrazonoyl]naphthalen-2-ol?
The InChIKey is IDDXVSFSIGIXFB-QLYXXIJNSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-28-19-13-17(24-22(25-19)15-8-3-2-4-9-15)21(26-23)20-16-10-6-5-7-14(16)11-12-18(20)27/h2-13,27H,23H2,1H3/b26-21-.
What are the key properties of 1-[(E)-C-(6-methoxy-2-phenylpyrimidin-4-yl)carbonohydrazonoyl]naphthalen-2-ol?
1-[(E)-C-(6-methoxy-2-phenylpyrimidin-4-yl)carbonohydrazonoyl]naphthalen-2-ol has a molecular weight of 370.41 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-C-(6-methoxy-2-phenylpyrimidin-4-yl)carbonohydrazonoyl]naphthalen-2-ol is sourced from PubChem (CID 135801726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).