2-(4-aminophenyl)-8-hydroxy-3H-quinazolin-4-one

C14H11N3O2 — CID 135471356

IUPAC2-(4-aminophenyl)-8-hydroxy-3H-quinazolin-4-one
SMILESNc1ccc(-c2nc3c(O)cccc3c(=O)[nH]2)cc1
InChIInChI=1S/C14H11N3O2/c15-9-6-4-8(5-7-9)13-16-12-10(14(19)17-13)2-1-3-11(12)18/h1-7,18H,15H2,(H,16,17,19)
InChIKeyFNYTYXJFOSRUTI-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.88
Rot. Bonds1

About 2-(4-aminophenyl)-8-hydroxy-3H-quinazolin-4-one

2-(4-aminophenyl)-8-hydroxy-3H-quinazolin-4-one (PubChem CID 135471356) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-(4-aminophenyl)-8-hydroxy-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(4-aminophenyl)-8-hydroxy-3H-quinazolin-4-one
PubChem CID135471356
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name2-(4-aminophenyl)-8-hydroxy-3H-quinazolin-4-one
SMILESNc1ccc(-c2nc3c(O)cccc3c(=O)[nH]2)cc1
InChIInChI=1S/C14H11N3O2/c15-9-6-4-8(5-7-9)13-16-12-10(14(19)17-13)2-1-3-11(12)18/h1-7,18H,15H2,(H,16,17,19)
InChIKeyFNYTYXJFOSRUTI-UHFFFAOYSA-N
XLogP1.88
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-8-hydroxy-3H-quinazolin-4-one?
The IUPAC name of 2-(4-aminophenyl)-8-hydroxy-3H-quinazolin-4-one (CID 135471356) is 2-(4-aminophenyl)-8-hydroxy-3H-quinazolin-4-one.
What is the SMILES notation for 2-(4-aminophenyl)-8-hydroxy-3H-quinazolin-4-one?
The canonical SMILES for 2-(4-aminophenyl)-8-hydroxy-3H-quinazolin-4-one is Nc1ccc(-c2nc3c(O)cccc3c(=O)[nH]2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-8-hydroxy-3H-quinazolin-4-one?
The InChIKey is FNYTYXJFOSRUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c15-9-6-4-8(5-7-9)13-16-12-10(14(19)17-13)2-1-3-11(12)18/h1-7,18H,15H2,(H,16,17,19).
What are the key properties of 2-(4-aminophenyl)-8-hydroxy-3H-quinazolin-4-one?
2-(4-aminophenyl)-8-hydroxy-3H-quinazolin-4-one has a molecular weight of 253.26 g/mol, XLogP of 1.88, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-8-hydroxy-3H-quinazolin-4-one is sourced from PubChem (CID 135471356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).