2-[(E)-(quinazolin-4-ylhydrazinylidene)methyl]phenol

C15H12N4O — CID 135713775

IUPAC2-[(E)-(quinazolin-4-ylhydrazinylidene)methyl]phenol
SMILESOc1ccccc1/C=N/Nc1ncnc2ccccc12
InChIInChI=1S/C15H12N4O/c20-14-8-4-1-5-11(14)9-18-19-15-12-6-2-3-7-13(12)16-10-17-15/h1-10,20H,(H,16,17,19)/b18-9+
InChIKeyJQYKELPWQSTKEN-GIJQJNRQSA-N
MW264.29 g/mol
LogP2.78
Rot. Bonds3

About 2-[(E)-(quinazolin-4-ylhydrazinylidene)methyl]phenol

2-[(E)-(quinazolin-4-ylhydrazinylidene)methyl]phenol (PubChem CID 135713775) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is 2-[(E)-(quinazolin-4-ylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name2-[(E)-(quinazolin-4-ylhydrazinylidene)methyl]phenol
PubChem CID135713775
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name2-[(E)-(quinazolin-4-ylhydrazinylidene)methyl]phenol
SMILESOc1ccccc1/C=N/Nc1ncnc2ccccc12
InChIInChI=1S/C15H12N4O/c20-14-8-4-1-5-11(14)9-18-19-15-12-6-2-3-7-13(12)16-10-17-15/h1-10,20H,(H,16,17,19)/b18-9+
InChIKeyJQYKELPWQSTKEN-GIJQJNRQSA-N
XLogP2.78
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

2-[[(2-phenylquinazolin-4-yl)hydrazinylidene]methyl]phenol
CID 4014004
2-[(E)-[[2-(4-chlorophenyl)quinazolin-4-yl]hydrazinylidene]methyl]phenol
CID 135549514
2-[(Z)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]phenol
CID 135506502
3-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
CID 136851168
4-[(E)-[[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]quinazolin-4-yl]hydrazinylidene]methyl]benzene-1,3-diol
CID 137185504
N-[(Z)-1-phenylethylideneamino]quinazolin-4-amine
CID 7272632
2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 135439965
4-(quinazolin-4-ylamino)phenol;hydrochloride
CID 2790603
N'-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]pyrazine-2-carboximidamide
CID 170856215
4-[(Z)-C-methyl-N-(quinazolin-4-ylamino)carbonimidoyl]phenol
CID 135877631
2-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol
CID 136672918
(NE)-N-(quinazolin-4-ylmethylidene)hydroxylamine
CID 136952912

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(quinazolin-4-ylhydrazinylidene)methyl]phenol?
The IUPAC name of 2-[(E)-(quinazolin-4-ylhydrazinylidene)methyl]phenol (CID 135713775) is 2-[(E)-(quinazolin-4-ylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 2-[(E)-(quinazolin-4-ylhydrazinylidene)methyl]phenol?
The canonical SMILES for 2-[(E)-(quinazolin-4-ylhydrazinylidene)methyl]phenol is Oc1ccccc1/C=N/Nc1ncnc2ccccc12.
What is the InChIKey of 2-[(E)-(quinazolin-4-ylhydrazinylidene)methyl]phenol?
The InChIKey is JQYKELPWQSTKEN-GIJQJNRQSA-N. The full InChI is InChI=1S/C15H12N4O/c20-14-8-4-1-5-11(14)9-18-19-15-12-6-2-3-7-13(12)16-10-17-15/h1-10,20H,(H,16,17,19)/b18-9+.
What are the key properties of 2-[(E)-(quinazolin-4-ylhydrazinylidene)methyl]phenol?
2-[(E)-(quinazolin-4-ylhydrazinylidene)methyl]phenol has a molecular weight of 264.29 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(quinazolin-4-ylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 135713775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).