(E)-1-(3-methoxyphenyl)-N-quinazolin-4-yloxymethanimine

C16H13N3O2 — CID 7824535

IUPAC(E)-1-(3-methoxyphenyl)-N-quinazolin-4-yloxymethanimine
SMILESCOc1cccc(/C=N/Oc2ncnc3ccccc23)c1
InChIInChI=1S/C16H13N3O2/c1-20-13-6-4-5-12(9-13)10-19-21-16-14-7-2-3-8-15(14)17-11-18-16/h2-11H,1H3/b19-10+
InChIKeyQJARZFWZZXDAHR-VXLYETTFSA-N
MW279.30 g/mol
LogP3.05
Rot. Bonds4

About (E)-1-(3-methoxyphenyl)-N-quinazolin-4-yloxymethanimine

(E)-1-(3-methoxyphenyl)-N-quinazolin-4-yloxymethanimine (PubChem CID 7824535) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is (E)-1-(3-methoxyphenyl)-N-quinazolin-4-yloxymethanimine.

Molecular Properties

Compound Name(E)-1-(3-methoxyphenyl)-N-quinazolin-4-yloxymethanimine
PubChem CID7824535
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name(E)-1-(3-methoxyphenyl)-N-quinazolin-4-yloxymethanimine
SMILESCOc1cccc(/C=N/Oc2ncnc3ccccc23)c1
InChIInChI=1S/C16H13N3O2/c1-20-13-6-4-5-12(9-13)10-19-21-16-14-7-2-3-8-15(14)17-11-18-16/h2-11H,1H3/b19-10+
InChIKeyQJARZFWZZXDAHR-VXLYETTFSA-N
XLogP3.05
TPSA56.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 (E)-1-(3-methoxyphenyl)-N-quinazolin-4-yloxymethanimine?
The IUPAC name of (E)-1-(3-methoxyphenyl)-N-quinazolin-4-yloxymethanimine (CID 7824535) is (E)-1-(3-methoxyphenyl)-N-quinazolin-4-yloxymethanimine.
What is the SMILES notation for (E)-1-(3-methoxyphenyl)-N-quinazolin-4-yloxymethanimine?
The canonical SMILES for (E)-1-(3-methoxyphenyl)-N-quinazolin-4-yloxymethanimine is COc1cccc(/C=N/Oc2ncnc3ccccc23)c1.
What is the InChIKey of (E)-1-(3-methoxyphenyl)-N-quinazolin-4-yloxymethanimine?
The InChIKey is QJARZFWZZXDAHR-VXLYETTFSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-20-13-6-4-5-12(9-13)10-19-21-16-14-7-2-3-8-15(14)17-11-18-16/h2-11H,1H3/b19-10+.
What are the key properties of (E)-1-(3-methoxyphenyl)-N-quinazolin-4-yloxymethanimine?
(E)-1-(3-methoxyphenyl)-N-quinazolin-4-yloxymethanimine has a molecular weight of 279.30 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3-methoxyphenyl)-N-quinazolin-4-yloxymethanimine is sourced from PubChem (CID 7824535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).