4-(8-hydroxy-4-oxo-3H-quinazolin-2-yl)benzonitrile

C15H9N3O2 — CID 135411211

IUPAC4-(8-hydroxy-4-oxo-3H-quinazolin-2-yl)benzonitrile
SMILESN#Cc1ccc(-c2nc3c(O)cccc3c(=O)[nH]2)cc1
InChIInChI=1S/C15H9N3O2/c16-8-9-4-6-10(7-5-9)14-17-13-11(15(20)18-14)2-1-3-12(13)19/h1-7,19H,(H,17,18,20)
InChIKeyZRQWCIMDHBNSBG-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.17
Rot. Bonds1

About 4-(8-hydroxy-4-oxo-3H-quinazolin-2-yl)benzonitrile

4-(8-hydroxy-4-oxo-3H-quinazolin-2-yl)benzonitrile (PubChem CID 135411211) has the molecular formula C15H9N3O2 and a molecular weight of 263.26 g/mol. Its IUPAC name is 4-(8-hydroxy-4-oxo-3H-quinazolin-2-yl)benzonitrile.

Molecular Properties

Compound Name4-(8-hydroxy-4-oxo-3H-quinazolin-2-yl)benzonitrile
PubChem CID135411211
Molecular FormulaC15H9N3O2
Molecular Weight263.26 g/mol
Exact Mass263.07
IUPAC Name4-(8-hydroxy-4-oxo-3H-quinazolin-2-yl)benzonitrile
SMILESN#Cc1ccc(-c2nc3c(O)cccc3c(=O)[nH]2)cc1
InChIInChI=1S/C15H9N3O2/c16-8-9-4-6-10(7-5-9)14-17-13-11(15(20)18-14)2-1-3-12(13)19/h1-7,19H,(H,17,18,20)
InChIKeyZRQWCIMDHBNSBG-UHFFFAOYSA-N
XLogP2.17
TPSA89.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(8-hydroxy-4-oxo-3H-quinazolin-2-yl)benzonitrile?
The IUPAC name of 4-(8-hydroxy-4-oxo-3H-quinazolin-2-yl)benzonitrile (CID 135411211) is 4-(8-hydroxy-4-oxo-3H-quinazolin-2-yl)benzonitrile.
What is the SMILES notation for 4-(8-hydroxy-4-oxo-3H-quinazolin-2-yl)benzonitrile?
The canonical SMILES for 4-(8-hydroxy-4-oxo-3H-quinazolin-2-yl)benzonitrile is N#Cc1ccc(-c2nc3c(O)cccc3c(=O)[nH]2)cc1.
What is the InChIKey of 4-(8-hydroxy-4-oxo-3H-quinazolin-2-yl)benzonitrile?
The InChIKey is ZRQWCIMDHBNSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3O2/c16-8-9-4-6-10(7-5-9)14-17-13-11(15(20)18-14)2-1-3-12(13)19/h1-7,19H,(H,17,18,20).
What are the key properties of 4-(8-hydroxy-4-oxo-3H-quinazolin-2-yl)benzonitrile?
4-(8-hydroxy-4-oxo-3H-quinazolin-2-yl)benzonitrile has a molecular weight of 263.26 g/mol, XLogP of 2.17, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-hydroxy-4-oxo-3H-quinazolin-2-yl)benzonitrile is sourced from PubChem (CID 135411211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).