2-(3-nitrophenyl)quinazoline

C14H9N3O2 — CID 18315615

IUPAC2-(3-nitrophenyl)quinazoline
SMILESO=[N+]([O-])c1cccc(-c2ncc3ccccc3n2)c1
InChIInChI=1S/C14H9N3O2/c18-17(19)12-6-3-5-10(8-12)14-15-9-11-4-1-2-7-13(11)16-14/h1-9H
InChIKeyGDPBFVVLLZTDIZ-UHFFFAOYSA-N
MW251.25 g/mol
LogP3.20
Rot. Bonds2

About 2-(3-nitrophenyl)quinazoline

2-(3-nitrophenyl)quinazoline (PubChem CID 18315615) has the molecular formula C14H9N3O2 and a molecular weight of 251.25 g/mol. Its IUPAC name is 2-(3-nitrophenyl)quinazoline.

Molecular Properties

Compound Name2-(3-nitrophenyl)quinazoline
PubChem CID18315615
Molecular FormulaC14H9N3O2
Molecular Weight251.25 g/mol
Exact Mass251.07
IUPAC Name2-(3-nitrophenyl)quinazoline
SMILESO=[N+]([O-])c1cccc(-c2ncc3ccccc3n2)c1
InChIInChI=1S/C14H9N3O2/c18-17(19)12-6-3-5-10(8-12)14-15-9-11-4-1-2-7-13(11)16-14/h1-9H
InChIKeyGDPBFVVLLZTDIZ-UHFFFAOYSA-N
XLogP3.20
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-(3-nitrophenyl)quinazoline?
The IUPAC name of 2-(3-nitrophenyl)quinazoline (CID 18315615) is 2-(3-nitrophenyl)quinazoline.
What is the SMILES notation for 2-(3-nitrophenyl)quinazoline?
The canonical SMILES for 2-(3-nitrophenyl)quinazoline is O=[N+]([O-])c1cccc(-c2ncc3ccccc3n2)c1.
What is the InChIKey of 2-(3-nitrophenyl)quinazoline?
The InChIKey is GDPBFVVLLZTDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O2/c18-17(19)12-6-3-5-10(8-12)14-15-9-11-4-1-2-7-13(11)16-14/h1-9H.
What are the key properties of 2-(3-nitrophenyl)quinazoline?
2-(3-nitrophenyl)quinazoline has a molecular weight of 251.25 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitrophenyl)quinazoline is sourced from PubChem (CID 18315615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).