4-[(E)-[(2-pyridin-3-ylquinazolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol

C20H15N5O2 — CID 135650675

IUPAC4-[(E)-[(2-pyridin-3-ylquinazolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol
SMILESOc1ccc(/C=N/Nc2nc(-c3cccnc3)nc3ccccc23)c(O)c1
InChIInChI=1S/C20H15N5O2/c26-15-8-7-13(18(27)10-15)12-22-25-20-16-5-1-2-6-17(16)23-19(24-20)14-4-3-9-21-11-14/h1-12,26-27H,(H,23,24,25)/b22-12+
InChIKeyJPHGCTKXUXOBSS-WSDLNYQXSA-N
MW357.37 g/mol
LogP3.55
Rot. Bonds4

About 4-[(E)-[(2-pyridin-3-ylquinazolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol

4-[(E)-[(2-pyridin-3-ylquinazolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol (PubChem CID 135650675) has the molecular formula C20H15N5O2 and a molecular weight of 357.37 g/mol. Its IUPAC name is 4-[(E)-[(2-pyridin-3-ylquinazolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(E)-[(2-pyridin-3-ylquinazolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol
PubChem CID135650675
Molecular FormulaC20H15N5O2
Molecular Weight357.37 g/mol
Exact Mass357.12
IUPAC Name4-[(E)-[(2-pyridin-3-ylquinazolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol
SMILESOc1ccc(/C=N/Nc2nc(-c3cccnc3)nc3ccccc23)c(O)c1
InChIInChI=1S/C20H15N5O2/c26-15-8-7-13(18(27)10-15)12-22-25-20-16-5-1-2-6-17(16)23-19(24-20)14-4-3-9-21-11-14/h1-12,26-27H,(H,23,24,25)/b22-12+
InChIKeyJPHGCTKXUXOBSS-WSDLNYQXSA-N
XLogP3.55
TPSA103.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', '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

(E)-2-methoxy-6-((2-(2-(pyridin-3-yl)quinazolin-4-yl)hydrazono)methyl)phenol
CID 135541840
2-{4-[(Pyridin-3-ylmethyl)-amino]-quinazolin-2-yl}-phenol
CID 935994
4-((1E)-2-{[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]amino}-2-azavinyl)-2-me thylbenzene-1,3-diol
CID 135443092
4-{(E)-[2-(3-methylquinoxalin-2-yl)hydrazinylidene]methyl}benzene-1,3-diol
CID 135411608
4-{(E)-[2-(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl}benzene-1,3-diol
CID 135536508
2-methyl-4-[(E)-{(2E)-[2-(pyridin-3-yl)quinazolin-4(3H)-ylidene]hydrazinylidene}methyl]benzene-1,3-diol
CID 135651038
4-(3-(Quinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl)phenol
CID 44223353
4-Hydroxy-3-[4-(pyridin-3-ylmethylamino)quinazolin-2-yl]benzonitrile
CID 142747584
4-Hydroxy-3-[4-(pyrazin-2-ylmethylamino)quinazolin-2-yl]benzonitrile
CID 142747615
4-Hydroxy-3-[4-(pyrimidin-2-ylmethylamino)quinazolin-2-yl]benzonitrile
CID 156783870
2-[4-[2-[1-(2-Hydroxyphenyl)ethylidene]hydrazinyl]quinazolin-2-yl]phenol
CID 3089339
N-[(2,4-dimethoxyphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 3235011

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(2-pyridin-3-ylquinazolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol?
The IUPAC name of 4-[(E)-[(2-pyridin-3-ylquinazolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol (CID 135650675) is 4-[(E)-[(2-pyridin-3-ylquinazolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(E)-[(2-pyridin-3-ylquinazolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol?
The canonical SMILES for 4-[(E)-[(2-pyridin-3-ylquinazolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol is Oc1ccc(/C=N/Nc2nc(-c3cccnc3)nc3ccccc23)c(O)c1.
What is the InChIKey of 4-[(E)-[(2-pyridin-3-ylquinazolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol?
The InChIKey is JPHGCTKXUXOBSS-WSDLNYQXSA-N. The full InChI is InChI=1S/C20H15N5O2/c26-15-8-7-13(18(27)10-15)12-22-25-20-16-5-1-2-6-17(16)23-19(24-20)14-4-3-9-21-11-14/h1-12,26-27H,(H,23,24,25)/b22-12+.
What are the key properties of 4-[(E)-[(2-pyridin-3-ylquinazolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol?
4-[(E)-[(2-pyridin-3-ylquinazolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol has a molecular weight of 357.37 g/mol, XLogP of 3.55, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(2-pyridin-3-ylquinazolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol is sourced from PubChem (CID 135650675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).