(Z)-1-(2,4-dichlorophenyl)-N-quinazolin-4-yloxymethanimine

C15H9Cl2N3O — CID 5391093

IUPAC(Z)-1-(2,4-dichlorophenyl)-N-quinazolin-4-yloxymethanimine
SMILESClc1ccc(/C=N\Oc2ncnc3ccccc23)c(Cl)c1
InChIInChI=1S/C15H9Cl2N3O/c16-11-6-5-10(13(17)7-11)8-20-21-15-12-3-1-2-4-14(12)18-9-19-15/h1-9H/b20-8-
InChIKeyGCPXQZMUTYVCSA-ZBKNUEDVSA-N
MW318.16 g/mol
LogP4.35
Rot. Bonds3

About (Z)-1-(2,4-dichlorophenyl)-N-quinazolin-4-yloxymethanimine

(Z)-1-(2,4-dichlorophenyl)-N-quinazolin-4-yloxymethanimine (PubChem CID 5391093) has the molecular formula C15H9Cl2N3O and a molecular weight of 318.16 g/mol. Its IUPAC name is (Z)-1-(2,4-dichlorophenyl)-N-quinazolin-4-yloxymethanimine.

Molecular Properties

Compound Name(Z)-1-(2,4-dichlorophenyl)-N-quinazolin-4-yloxymethanimine
PubChem CID5391093
Molecular FormulaC15H9Cl2N3O
Molecular Weight318.16 g/mol
Exact Mass317.01
IUPAC Name(Z)-1-(2,4-dichlorophenyl)-N-quinazolin-4-yloxymethanimine
SMILESClc1ccc(/C=N\Oc2ncnc3ccccc23)c(Cl)c1
InChIInChI=1S/C15H9Cl2N3O/c16-11-6-5-10(13(17)7-11)8-20-21-15-12-3-1-2-4-14(12)18-9-19-15/h1-9H/b20-8-
InChIKeyGCPXQZMUTYVCSA-ZBKNUEDVSA-N
XLogP4.35
TPSA47.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 (Z)-1-(2,4-dichlorophenyl)-N-quinazolin-4-yloxymethanimine?
The IUPAC name of (Z)-1-(2,4-dichlorophenyl)-N-quinazolin-4-yloxymethanimine (CID 5391093) is (Z)-1-(2,4-dichlorophenyl)-N-quinazolin-4-yloxymethanimine.
What is the SMILES notation for (Z)-1-(2,4-dichlorophenyl)-N-quinazolin-4-yloxymethanimine?
The canonical SMILES for (Z)-1-(2,4-dichlorophenyl)-N-quinazolin-4-yloxymethanimine is Clc1ccc(/C=N\Oc2ncnc3ccccc23)c(Cl)c1.
What is the InChIKey of (Z)-1-(2,4-dichlorophenyl)-N-quinazolin-4-yloxymethanimine?
The InChIKey is GCPXQZMUTYVCSA-ZBKNUEDVSA-N. The full InChI is InChI=1S/C15H9Cl2N3O/c16-11-6-5-10(13(17)7-11)8-20-21-15-12-3-1-2-4-14(12)18-9-19-15/h1-9H/b20-8-.
What are the key properties of (Z)-1-(2,4-dichlorophenyl)-N-quinazolin-4-yloxymethanimine?
(Z)-1-(2,4-dichlorophenyl)-N-quinazolin-4-yloxymethanimine has a molecular weight of 318.16 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2,4-dichlorophenyl)-N-quinazolin-4-yloxymethanimine is sourced from PubChem (CID 5391093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).