2-(2-nitrophenyl)-2,3-dihydro-1H-quinazolin-4-one

C14H11N3O3 — CID 3549863

IUPAC2-(2-nitrophenyl)-2,3-dihydro-1H-quinazolin-4-one
SMILESO=C1NC(c2ccccc2[N+](=O)[O-])Nc2ccccc21
InChIInChI=1S/C14H11N3O3/c18-14-9-5-1-3-7-11(9)15-13(16-14)10-6-2-4-8-12(10)17(19)20/h1-8,13,15H,(H,16,18)
InChIKeyWWONPPJDLHHUIW-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.45
Rot. Bonds2

About 2-(2-nitrophenyl)-2,3-dihydro-1H-quinazolin-4-one

2-(2-nitrophenyl)-2,3-dihydro-1H-quinazolin-4-one (PubChem CID 3549863) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-(2-nitrophenyl)-2,3-dihydro-1H-quinazolin-4-one.

Molecular Properties

Compound Name2-(2-nitrophenyl)-2,3-dihydro-1H-quinazolin-4-one
PubChem CID3549863
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name2-(2-nitrophenyl)-2,3-dihydro-1H-quinazolin-4-one
SMILESO=C1NC(c2ccccc2[N+](=O)[O-])Nc2ccccc21
InChIInChI=1S/C14H11N3O3/c18-14-9-5-1-3-7-11(9)15-13(16-14)10-6-2-4-8-12(10)17(19)20/h1-8,13,15H,(H,16,18)
InChIKeyWWONPPJDLHHUIW-UHFFFAOYSA-N
XLogP2.45
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.45
H-Bond Donors ≤ 52
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-(2-nitrophenyl)-2,3-dihydro-1H-quinazolin-4-one?
The IUPAC name of 2-(2-nitrophenyl)-2,3-dihydro-1H-quinazolin-4-one (CID 3549863) is 2-(2-nitrophenyl)-2,3-dihydro-1H-quinazolin-4-one.
What is the SMILES notation for 2-(2-nitrophenyl)-2,3-dihydro-1H-quinazolin-4-one?
The canonical SMILES for 2-(2-nitrophenyl)-2,3-dihydro-1H-quinazolin-4-one is O=C1NC(c2ccccc2[N+](=O)[O-])Nc2ccccc21.
What is the InChIKey of 2-(2-nitrophenyl)-2,3-dihydro-1H-quinazolin-4-one?
The InChIKey is WWONPPJDLHHUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c18-14-9-5-1-3-7-11(9)15-13(16-14)10-6-2-4-8-12(10)17(19)20/h1-8,13,15H,(H,16,18).
What are the key properties of 2-(2-nitrophenyl)-2,3-dihydro-1H-quinazolin-4-one?
2-(2-nitrophenyl)-2,3-dihydro-1H-quinazolin-4-one has a molecular weight of 269.26 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenyl)-2,3-dihydro-1H-quinazolin-4-one is sourced from PubChem (CID 3549863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).