2-fluoro-5-(7-hydroxy-4-oxo-2-propan-2-ylquinazolin-3-yl)benzonitrile

C18H14FN3O2 — CID 59777557

IUPAC2-fluoro-5-(7-hydroxy-4-oxo-2-propan-2-ylquinazolin-3-yl)benzonitrile
SMILESCC(C)c1nc2cc(O)ccc2c(=O)n1-c1ccc(F)c(C#N)c1
InChIInChI=1S/C18H14FN3O2/c1-10(2)17-21-16-8-13(23)4-5-14(16)18(24)22(17)12-3-6-15(19)11(7-12)9-20/h3-8,10,23H,1-2H3
InChIKeyWYVUEIIUSFZYGU-UHFFFAOYSA-N
MW323.33 g/mol
LogP3.23
Rot. Bonds2

About 2-fluoro-5-(7-hydroxy-4-oxo-2-propan-2-ylquinazolin-3-yl)benzonitrile

2-fluoro-5-(7-hydroxy-4-oxo-2-propan-2-ylquinazolin-3-yl)benzonitrile (PubChem CID 59777557) has the molecular formula C18H14FN3O2 and a molecular weight of 323.33 g/mol. Its IUPAC name is 2-fluoro-5-(7-hydroxy-4-oxo-2-propan-2-ylquinazolin-3-yl)benzonitrile.

Molecular Properties

Compound Name2-fluoro-5-(7-hydroxy-4-oxo-2-propan-2-ylquinazolin-3-yl)benzonitrile
PubChem CID59777557
Molecular FormulaC18H14FN3O2
Molecular Weight323.33 g/mol
Exact Mass323.11
IUPAC Name2-fluoro-5-(7-hydroxy-4-oxo-2-propan-2-ylquinazolin-3-yl)benzonitrile
SMILESCC(C)c1nc2cc(O)ccc2c(=O)n1-c1ccc(F)c(C#N)c1
InChIInChI=1S/C18H14FN3O2/c1-10(2)17-21-16-8-13(23)4-5-14(16)18(24)22(17)12-3-6-15(19)11(7-12)9-20/h3-8,10,23H,1-2H3
InChIKeyWYVUEIIUSFZYGU-UHFFFAOYSA-N
XLogP3.23
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(7-hydroxy-4-oxo-2-propan-2-ylquinazolin-3-yl)benzonitrile?
The IUPAC name of 2-fluoro-5-(7-hydroxy-4-oxo-2-propan-2-ylquinazolin-3-yl)benzonitrile (CID 59777557) is 2-fluoro-5-(7-hydroxy-4-oxo-2-propan-2-ylquinazolin-3-yl)benzonitrile.
What is the SMILES notation for 2-fluoro-5-(7-hydroxy-4-oxo-2-propan-2-ylquinazolin-3-yl)benzonitrile?
The canonical SMILES for 2-fluoro-5-(7-hydroxy-4-oxo-2-propan-2-ylquinazolin-3-yl)benzonitrile is CC(C)c1nc2cc(O)ccc2c(=O)n1-c1ccc(F)c(C#N)c1.
What is the InChIKey of 2-fluoro-5-(7-hydroxy-4-oxo-2-propan-2-ylquinazolin-3-yl)benzonitrile?
The InChIKey is WYVUEIIUSFZYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O2/c1-10(2)17-21-16-8-13(23)4-5-14(16)18(24)22(17)12-3-6-15(19)11(7-12)9-20/h3-8,10,23H,1-2H3.
What are the key properties of 2-fluoro-5-(7-hydroxy-4-oxo-2-propan-2-ylquinazolin-3-yl)benzonitrile?
2-fluoro-5-(7-hydroxy-4-oxo-2-propan-2-ylquinazolin-3-yl)benzonitrile has a molecular weight of 323.33 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(7-hydroxy-4-oxo-2-propan-2-ylquinazolin-3-yl)benzonitrile is sourced from PubChem (CID 59777557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).