4-methyl-2-(4-nitrophenyl)quinazoline

C15H11N3O2 — CID 742061

IUPAC4-methyl-2-(4-nitrophenyl)quinazoline
SMILESCc1nc(-c2ccc([N+](=O)[O-])cc2)nc2ccccc12
InChIInChI=1S/C15H11N3O2/c1-10-13-4-2-3-5-14(13)17-15(16-10)11-6-8-12(9-7-11)18(19)20/h2-9H,1H3
InChIKeyLYOONHIXXJAABF-UHFFFAOYSA-N
MW265.27 g/mol
LogP3.51
Rot. Bonds2

About 4-methyl-2-(4-nitrophenyl)quinazoline

4-methyl-2-(4-nitrophenyl)quinazoline (PubChem CID 742061) has the molecular formula C15H11N3O2 and a molecular weight of 265.27 g/mol. Its IUPAC name is 4-methyl-2-(4-nitrophenyl)quinazoline.

Molecular Properties

Compound Name4-methyl-2-(4-nitrophenyl)quinazoline
PubChem CID742061
Molecular FormulaC15H11N3O2
Molecular Weight265.27 g/mol
Exact Mass265.09
IUPAC Name4-methyl-2-(4-nitrophenyl)quinazoline
SMILESCc1nc(-c2ccc([N+](=O)[O-])cc2)nc2ccccc12
InChIInChI=1S/C15H11N3O2/c1-10-13-4-2-3-5-14(13)17-15(16-10)11-6-8-12(9-7-11)18(19)20/h2-9H,1H3
InChIKeyLYOONHIXXJAABF-UHFFFAOYSA-N
XLogP3.51
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 53.51
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 4-methyl-2-(4-nitrophenyl)quinazoline?
The IUPAC name of 4-methyl-2-(4-nitrophenyl)quinazoline (CID 742061) is 4-methyl-2-(4-nitrophenyl)quinazoline.
What is the SMILES notation for 4-methyl-2-(4-nitrophenyl)quinazoline?
The canonical SMILES for 4-methyl-2-(4-nitrophenyl)quinazoline is Cc1nc(-c2ccc([N+](=O)[O-])cc2)nc2ccccc12.
What is the InChIKey of 4-methyl-2-(4-nitrophenyl)quinazoline?
The InChIKey is LYOONHIXXJAABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2/c1-10-13-4-2-3-5-14(13)17-15(16-10)11-6-8-12(9-7-11)18(19)20/h2-9H,1H3.
What are the key properties of 4-methyl-2-(4-nitrophenyl)quinazoline?
4-methyl-2-(4-nitrophenyl)quinazoline has a molecular weight of 265.27 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-nitrophenyl)quinazoline is sourced from PubChem (CID 742061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).