2-methoxy-6-[(E)-[(2-pyridin-3-ylquinazolin-4-yl)hydrazinylidene]methyl]phenol

C21H17N5O2 — CID 135541840

IUPAC2-methoxy-6-[(E)-[(2-pyridin-3-ylquinazolin-4-yl)hydrazinylidene]methyl]phenol
SMILESCOc1cccc(/C=N/Nc2nc(-c3cccnc3)nc3ccccc23)c1O
InChIInChI=1S/C21H17N5O2/c1-28-18-10-4-6-14(19(18)27)13-23-26-21-16-8-2-3-9-17(16)24-20(25-21)15-7-5-11-22-12-15/h2-13,27H,1H3,(H,24,25,26)/b23-13+
InChIKeyKGSPMASMABTSNR-YDZHTSKRSA-N
MW371.40 g/mol
LogP3.85
Rot. Bonds5

About 2-methoxy-6-[(E)-[(2-pyridin-3-ylquinazolin-4-yl)hydrazinylidene]methyl]phenol

2-methoxy-6-[(E)-[(2-pyridin-3-ylquinazolin-4-yl)hydrazinylidene]methyl]phenol (PubChem CID 135541840) has the molecular formula C21H17N5O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is 2-methoxy-6-[(E)-[(2-pyridin-3-ylquinazolin-4-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[(E)-[(2-pyridin-3-ylquinazolin-4-yl)hydrazinylidene]methyl]phenol
PubChem CID135541840
Molecular FormulaC21H17N5O2
Molecular Weight371.40 g/mol
Exact Mass371.14
IUPAC Name2-methoxy-6-[(E)-[(2-pyridin-3-ylquinazolin-4-yl)hydrazinylidene]methyl]phenol
SMILESCOc1cccc(/C=N/Nc2nc(-c3cccnc3)nc3ccccc23)c1O
InChIInChI=1S/C21H17N5O2/c1-28-18-10-4-6-14(19(18)27)13-23-26-21-16-8-2-3-9-17(16)24-20(25-21)15-7-5-11-22-12-15/h2-13,27H,1H3,(H,24,25,26)/b23-13+
InChIKeyKGSPMASMABTSNR-YDZHTSKRSA-N
XLogP3.85
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 2-methoxy-6-[(E)-[(2-pyridin-3-ylquinazolin-4-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-methoxy-6-[(E)-[(2-pyridin-3-ylquinazolin-4-yl)hydrazinylidene]methyl]phenol (CID 135541840) is 2-methoxy-6-[(E)-[(2-pyridin-3-ylquinazolin-4-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-methoxy-6-[(E)-[(2-pyridin-3-ylquinazolin-4-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-methoxy-6-[(E)-[(2-pyridin-3-ylquinazolin-4-yl)hydrazinylidene]methyl]phenol is COc1cccc(/C=N/Nc2nc(-c3cccnc3)nc3ccccc23)c1O.
What is the InChIKey of 2-methoxy-6-[(E)-[(2-pyridin-3-ylquinazolin-4-yl)hydrazinylidene]methyl]phenol?
The InChIKey is KGSPMASMABTSNR-YDZHTSKRSA-N. The full InChI is InChI=1S/C21H17N5O2/c1-28-18-10-4-6-14(19(18)27)13-23-26-21-16-8-2-3-9-17(16)24-20(25-21)15-7-5-11-22-12-15/h2-13,27H,1H3,(H,24,25,26)/b23-13+.
What are the key properties of 2-methoxy-6-[(E)-[(2-pyridin-3-ylquinazolin-4-yl)hydrazinylidene]methyl]phenol?
2-methoxy-6-[(E)-[(2-pyridin-3-ylquinazolin-4-yl)hydrazinylidene]methyl]phenol has a molecular weight of 371.40 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[(E)-[(2-pyridin-3-ylquinazolin-4-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135541840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).