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

C16H13N3O2 — CID 708286

IUPAC1-(4-methoxyphenyl)-N-quinazolin-4-yloxymethanimine
SMILESCOc1ccc(C=NOc2ncnc3ccccc23)cc1
InChIInChI=1S/C16H13N3O2/c1-20-13-8-6-12(7-9-13)10-19-21-16-14-4-2-3-5-15(14)17-11-18-16/h2-11H,1H3
InChIKeyIIPHJTZKUWUIJD-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.05
Rot. Bonds4

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

1-(4-methoxyphenyl)-N-quinazolin-4-yloxymethanimine (PubChem CID 708286) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-quinazolin-4-yloxymethanimine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-quinazolin-4-yloxymethanimine
PubChem CID708286
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name1-(4-methoxyphenyl)-N-quinazolin-4-yloxymethanimine
SMILESCOc1ccc(C=NOc2ncnc3ccccc23)cc1
InChIInChI=1S/C16H13N3O2/c1-20-13-8-6-12(7-9-13)10-19-21-16-14-4-2-3-5-15(14)17-11-18-16/h2-11H,1H3
InChIKeyIIPHJTZKUWUIJD-UHFFFAOYSA-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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Related Compounds

(E)-1-(3-methoxyphenyl)-N-quinazolin-4-yloxymethanimine
CID 7824535
(E)-1-(4-methoxyphenyl)-N-phenoxymethanimine
CID 11790929
(Z)-1-(2,4-dichlorophenyl)-N-quinazolin-4-yloxymethanimine
CID 5391093
N-methoxy-1-(4-methoxyphenyl)methanimine
CID 520640
4-naphthalen-2-yloxyquinazoline
CID 31538161
4-ethoxyquinazoline
CID 589708
quinazolin-4-yl hypofluorite
CID 143671515
4-ethenoxyquinazoline
CID 90642939
(E)-3-(4-methoxyphenyl)-1-[4-(2-quinazolin-4-ylsulfanylethoxy)phenyl]prop-2-en-1-one
CID 141394286
N-methyl-4-quinazolin-4-yloxyaniline
CID 61027989
N-[2-(4-methoxyphenoxy)ethyl]quinazolin-4-amine
CID 12928811
(E)-1-(4-methoxyphenyl)-N-pyrimidin-2-ylmethanimine
CID 10846258

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-quinazolin-4-yloxymethanimine?
The IUPAC name of 1-(4-methoxyphenyl)-N-quinazolin-4-yloxymethanimine (CID 708286) is 1-(4-methoxyphenyl)-N-quinazolin-4-yloxymethanimine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-quinazolin-4-yloxymethanimine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-quinazolin-4-yloxymethanimine is COc1ccc(C=NOc2ncnc3ccccc23)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-quinazolin-4-yloxymethanimine?
The InChIKey is IIPHJTZKUWUIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-20-13-8-6-12(7-9-13)10-19-21-16-14-4-2-3-5-15(14)17-11-18-16/h2-11H,1H3.
What are the key properties of 1-(4-methoxyphenyl)-N-quinazolin-4-yloxymethanimine?
1-(4-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 1-(4-methoxyphenyl)-N-quinazolin-4-yloxymethanimine is sourced from PubChem (CID 708286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).