3-hydroxy-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one

C14H11N3O4 — CID 2872744

IUPAC3-hydroxy-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2cccc([N+](=O)[O-])c2)N1O
InChIInChI=1S/C14H11N3O4/c18-14-11-6-1-2-7-12(11)15-13(16(14)19)9-4-3-5-10(8-9)17(20)21/h1-8,13,15,19H
InChIKeyPLMQFSYKWPUFMJ-UHFFFAOYSA-N
MW285.26 g/mol
LogP2.55
Rot. Bonds2

About 3-hydroxy-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one

3-hydroxy-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 2872744) has the molecular formula C14H11N3O4 and a molecular weight of 285.26 g/mol. Its IUPAC name is 3-hydroxy-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-hydroxy-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one
PubChem CID2872744
Molecular FormulaC14H11N3O4
Molecular Weight285.26 g/mol
Exact Mass285.07
IUPAC Name3-hydroxy-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2cccc([N+](=O)[O-])c2)N1O
InChIInChI=1S/C14H11N3O4/c18-14-11-6-1-2-7-12(11)15-13(16(14)19)9-4-3-5-10(8-9)17(20)21/h1-8,13,15,19H
InChIKeyPLMQFSYKWPUFMJ-UHFFFAOYSA-N
XLogP2.55
TPSA95.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'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 3-hydroxy-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-hydroxy-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one (CID 2872744) is 3-hydroxy-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-hydroxy-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-hydroxy-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2NC(c2cccc([N+](=O)[O-])c2)N1O.
What is the InChIKey of 3-hydroxy-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is PLMQFSYKWPUFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O4/c18-14-11-6-1-2-7-12(11)15-13(16(14)19)9-4-3-5-10(8-9)17(20)21/h1-8,13,15,19H.
What are the key properties of 3-hydroxy-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one?
3-hydroxy-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 285.26 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 2872744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).