4-[(4-nitrophenyl)methoxy]quinazoline

C15H11N3O3 — CID 2089504

IUPAC4-[(4-nitrophenyl)methoxy]quinazoline
SMILESO=[N+]([O-])c1ccc(COc2ncnc3ccccc23)cc1
InChIInChI=1S/C15H11N3O3/c19-18(20)12-7-5-11(6-8-12)9-21-15-13-3-1-2-4-14(13)16-10-17-15/h1-8,10H,9H2
InChIKeyFWBKRKRIEVYPPP-UHFFFAOYSA-N
MW281.27 g/mol
LogP3.12
Rot. Bonds4

About 4-[(4-nitrophenyl)methoxy]quinazoline

4-[(4-nitrophenyl)methoxy]quinazoline (PubChem CID 2089504) has the molecular formula C15H11N3O3 and a molecular weight of 281.27 g/mol. Its IUPAC name is 4-[(4-nitrophenyl)methoxy]quinazoline.

Molecular Properties

Compound Name4-[(4-nitrophenyl)methoxy]quinazoline
PubChem CID2089504
Molecular FormulaC15H11N3O3
Molecular Weight281.27 g/mol
Exact Mass281.08
IUPAC Name4-[(4-nitrophenyl)methoxy]quinazoline
SMILESO=[N+]([O-])c1ccc(COc2ncnc3ccccc23)cc1
InChIInChI=1S/C15H11N3O3/c19-18(20)12-7-5-11(6-8-12)9-21-15-13-3-1-2-4-14(13)16-10-17-15/h1-8,10H,9H2
InChIKeyFWBKRKRIEVYPPP-UHFFFAOYSA-N
XLogP3.12
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', '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 4-[(4-nitrophenyl)methoxy]quinazoline?
The IUPAC name of 4-[(4-nitrophenyl)methoxy]quinazoline (CID 2089504) is 4-[(4-nitrophenyl)methoxy]quinazoline.
What is the SMILES notation for 4-[(4-nitrophenyl)methoxy]quinazoline?
The canonical SMILES for 4-[(4-nitrophenyl)methoxy]quinazoline is O=[N+]([O-])c1ccc(COc2ncnc3ccccc23)cc1.
What is the InChIKey of 4-[(4-nitrophenyl)methoxy]quinazoline?
The InChIKey is FWBKRKRIEVYPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3/c19-18(20)12-7-5-11(6-8-12)9-21-15-13-3-1-2-4-14(13)16-10-17-15/h1-8,10H,9H2.
What are the key properties of 4-[(4-nitrophenyl)methoxy]quinazoline?
4-[(4-nitrophenyl)methoxy]quinazoline has a molecular weight of 281.27 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-nitrophenyl)methoxy]quinazoline is sourced from PubChem (CID 2089504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).