8-fluoro-8H-quinazolin-4-one

C8H5FN2O — CID 76845720

IUPAC8-fluoro-8H-quinazolin-4-one
SMILESO=C1N=CN=C2C1=CC=CC2F
InChIInChI=1S/C8H5FN2O/c9-6-3-1-2-5-7(6)10-4-11-8(5)12/h1-4,6H
InChIKeyDDDPEHPRKPCAAV-UHFFFAOYSA-N
MW164.14 g/mol
LogP0.83
Rot. Bonds

About 8-fluoro-8H-quinazolin-4-one

8-fluoro-8H-quinazolin-4-one (PubChem CID 76845720) has the molecular formula C8H5FN2O and a molecular weight of 164.14 g/mol. Its IUPAC name is 8-fluoro-8H-quinazolin-4-one.

Molecular Properties

Compound Name8-fluoro-8H-quinazolin-4-one
PubChem CID76845720
Molecular FormulaC8H5FN2O
Molecular Weight164.14 g/mol
Exact Mass164.04
IUPAC Name8-fluoro-8H-quinazolin-4-one
SMILESO=C1N=CN=C2C1=CC=CC2F
InChIInChI=1S/C8H5FN2O/c9-6-3-1-2-5-7(6)10-4-11-8(5)12/h1-4,6H
InChIKeyDDDPEHPRKPCAAV-UHFFFAOYSA-N
XLogP0.83
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.14
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Quinazolin-8(4h)-one
CID 88162307
6-fluoro-8H-quinazolin-4-one
CID 90734363
7-fluoro-6H-quinazolin-4-one
CID 90958016
2-chloro-6-fluoro-6H-quinazolin-4-one
CID 71302510
5-fluoro-5H-isoquinolin-1-one
CID 71303754
6-fluoro-6H-quinazolin-4-one
CID 71303964
5,8-difluoro-2-methyl-8H-quinazolin-4-one
CID 73414900
6-fluoro-2-methyl-6H-quinazolin-4-one
CID 75210775
8-bromo-6-fluoro-8H-quinazolin-4-one
CID 77250427
5,6-difluoro-6H-quinazolin-4-one
CID 78166508
5-bromo-8-fluoro-8H-quinazolin-4-one
CID 138059215
Quinazoline-4,8-dione
CID 67262045

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-8H-quinazolin-4-one?
The IUPAC name of 8-fluoro-8H-quinazolin-4-one (CID 76845720) is 8-fluoro-8H-quinazolin-4-one.
What is the SMILES notation for 8-fluoro-8H-quinazolin-4-one?
The canonical SMILES for 8-fluoro-8H-quinazolin-4-one is O=C1N=CN=C2C1=CC=CC2F.
What is the InChIKey of 8-fluoro-8H-quinazolin-4-one?
The InChIKey is DDDPEHPRKPCAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN2O/c9-6-3-1-2-5-7(6)10-4-11-8(5)12/h1-4,6H.
What are the key properties of 8-fluoro-8H-quinazolin-4-one?
8-fluoro-8H-quinazolin-4-one has a molecular weight of 164.14 g/mol, XLogP of 0.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-8H-quinazolin-4-one is sourced from PubChem (CID 76845720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).