1-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]naphthalen-2-ol

C22H18N4O2 — CID 135443068

IUPAC1-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]naphthalen-2-ol
SMILESCc1cc(N/N=C/c2c(O)ccc3ccccc23)nc(-c2ccccc2O)n1
InChIInChI=1S/C22H18N4O2/c1-14-12-21(25-22(24-14)17-8-4-5-9-19(17)27)26-23-13-18-16-7-3-2-6-15(16)10-11-20(18)28/h2-13,27-28H,1H3,(H,24,25,26)/b23-13+
InChIKeyDHQGOAHGMRINPG-YDZHTSKRSA-N
MW370.41 g/mol
LogP4.46
Rot. Bonds4

About 1-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]naphthalen-2-ol

1-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]naphthalen-2-ol (PubChem CID 135443068) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 1-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]naphthalen-2-ol
PubChem CID135443068
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name1-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]naphthalen-2-ol
SMILESCc1cc(N/N=C/c2c(O)ccc3ccccc23)nc(-c2ccccc2O)n1
InChIInChI=1S/C22H18N4O2/c1-14-12-21(25-22(24-14)17-8-4-5-9-19(17)27)26-23-13-18-16-7-3-2-6-15(16)10-11-20(18)28/h2-13,27-28H,1H3,(H,24,25,26)/b23-13+
InChIKeyDHQGOAHGMRINPG-YDZHTSKRSA-N
XLogP4.46
TPSA90.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]naphthalen-2-ol?
The IUPAC name of 1-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]naphthalen-2-ol (CID 135443068) is 1-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]naphthalen-2-ol is Cc1cc(N/N=C/c2c(O)ccc3ccccc23)nc(-c2ccccc2O)n1.
What is the InChIKey of 1-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]naphthalen-2-ol?
The InChIKey is DHQGOAHGMRINPG-YDZHTSKRSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-14-12-21(25-22(24-14)17-8-4-5-9-19(17)27)26-23-13-18-16-7-3-2-6-15(16)10-11-20(18)28/h2-13,27-28H,1H3,(H,24,25,26)/b23-13+.
What are the key properties of 1-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]naphthalen-2-ol?
1-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]naphthalen-2-ol has a molecular weight of 370.41 g/mol, XLogP of 4.46, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]naphthalen-2-ol is sourced from PubChem (CID 135443068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).