7-anilino-3-hydroxy-1H-quinazoline-2,4-dione

C14H11N3O3 — CID 122190086

IUPAC7-anilino-3-hydroxy-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2cc(Nc3ccccc3)ccc2c(=O)n1O
InChIInChI=1S/C14H11N3O3/c18-13-11-7-6-10(15-9-4-2-1-3-5-9)8-12(11)16-14(19)17(13)20/h1-8,15,20H,(H,16,19)
InChIKeyAURWPQNSZSXFNS-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.67
Rot. Bonds2

About 7-anilino-3-hydroxy-1H-quinazoline-2,4-dione

7-anilino-3-hydroxy-1H-quinazoline-2,4-dione (PubChem CID 122190086) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 7-anilino-3-hydroxy-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name7-anilino-3-hydroxy-1H-quinazoline-2,4-dione
PubChem CID122190086
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name7-anilino-3-hydroxy-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2cc(Nc3ccccc3)ccc2c(=O)n1O
InChIInChI=1S/C14H11N3O3/c18-13-11-7-6-10(15-9-4-2-1-3-5-9)8-12(11)16-14(19)17(13)20/h1-8,15,20H,(H,16,19)
InChIKeyAURWPQNSZSXFNS-UHFFFAOYSA-N
XLogP1.67
TPSA87.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-anilino-3-hydroxy-1H-quinazoline-2,4-dione?
The IUPAC name of 7-anilino-3-hydroxy-1H-quinazoline-2,4-dione (CID 122190086) is 7-anilino-3-hydroxy-1H-quinazoline-2,4-dione.
What is the SMILES notation for 7-anilino-3-hydroxy-1H-quinazoline-2,4-dione?
The canonical SMILES for 7-anilino-3-hydroxy-1H-quinazoline-2,4-dione is O=c1[nH]c2cc(Nc3ccccc3)ccc2c(=O)n1O.
What is the InChIKey of 7-anilino-3-hydroxy-1H-quinazoline-2,4-dione?
The InChIKey is AURWPQNSZSXFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c18-13-11-7-6-10(15-9-4-2-1-3-5-9)8-12(11)16-14(19)17(13)20/h1-8,15,20H,(H,16,19).
What are the key properties of 7-anilino-3-hydroxy-1H-quinazoline-2,4-dione?
7-anilino-3-hydroxy-1H-quinazoline-2,4-dione has a molecular weight of 269.26 g/mol, XLogP of 1.67, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-anilino-3-hydroxy-1H-quinazoline-2,4-dione is sourced from PubChem (CID 122190086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).