8-fluoro-4-oxo-3-pyridin-3-ylquinazoline-5-carbonitrile

C14H7FN4O — CID 140701196

IUPAC8-fluoro-4-oxo-3-pyridin-3-ylquinazoline-5-carbonitrile
SMILESN#Cc1ccc(F)c2ncn(-c3cccnc3)c(=O)c12
InChIInChI=1S/C14H7FN4O/c15-11-4-3-9(6-16)12-13(11)18-8-19(14(12)20)10-2-1-5-17-7-10/h1-5,7-8H
InChIKeyDEZFVRZJFQAVCT-UHFFFAOYSA-N
MW266.24 g/mol
LogP1.79
Rot. Bonds1

About 8-fluoro-4-oxo-3-pyridin-3-ylquinazoline-5-carbonitrile

8-fluoro-4-oxo-3-pyridin-3-ylquinazoline-5-carbonitrile (PubChem CID 140701196) has the molecular formula C14H7FN4O and a molecular weight of 266.24 g/mol. Its IUPAC name is 8-fluoro-4-oxo-3-pyridin-3-ylquinazoline-5-carbonitrile.

Molecular Properties

Compound Name8-fluoro-4-oxo-3-pyridin-3-ylquinazoline-5-carbonitrile
PubChem CID140701196
Molecular FormulaC14H7FN4O
Molecular Weight266.24 g/mol
Exact Mass266.06
IUPAC Name8-fluoro-4-oxo-3-pyridin-3-ylquinazoline-5-carbonitrile
SMILESN#Cc1ccc(F)c2ncn(-c3cccnc3)c(=O)c12
InChIInChI=1S/C14H7FN4O/c15-11-4-3-9(6-16)12-13(11)18-8-19(14(12)20)10-2-1-5-17-7-10/h1-5,7-8H
InChIKeyDEZFVRZJFQAVCT-UHFFFAOYSA-N
XLogP1.79
TPSA71.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.24
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-oxo-3-pyridin-3-ylquinazoline-5-carbonitrile?
The IUPAC name of 8-fluoro-4-oxo-3-pyridin-3-ylquinazoline-5-carbonitrile (CID 140701196) is 8-fluoro-4-oxo-3-pyridin-3-ylquinazoline-5-carbonitrile.
What is the SMILES notation for 8-fluoro-4-oxo-3-pyridin-3-ylquinazoline-5-carbonitrile?
The canonical SMILES for 8-fluoro-4-oxo-3-pyridin-3-ylquinazoline-5-carbonitrile is N#Cc1ccc(F)c2ncn(-c3cccnc3)c(=O)c12.
What is the InChIKey of 8-fluoro-4-oxo-3-pyridin-3-ylquinazoline-5-carbonitrile?
The InChIKey is DEZFVRZJFQAVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7FN4O/c15-11-4-3-9(6-16)12-13(11)18-8-19(14(12)20)10-2-1-5-17-7-10/h1-5,7-8H.
What are the key properties of 8-fluoro-4-oxo-3-pyridin-3-ylquinazoline-5-carbonitrile?
8-fluoro-4-oxo-3-pyridin-3-ylquinazoline-5-carbonitrile has a molecular weight of 266.24 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-oxo-3-pyridin-3-ylquinazoline-5-carbonitrile is sourced from PubChem (CID 140701196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).