7-fluoro-6H-quinazolin-4-one

C8H5FN2O — CID 90958016

IUPAC7-fluoro-6H-quinazolin-4-one
SMILESO=C1N=CN=C2C=C(F)CC=C12
InChIInChI=1S/C8H5FN2O/c9-5-1-2-6-7(3-5)10-4-11-8(6)12/h2-4H,1H2
InChIKeyFYQKIBLJZWWNDZ-UHFFFAOYSA-N
MW164.14 g/mol
LogP1.18
Rot. Bonds

About 7-fluoro-6H-quinazolin-4-one

7-fluoro-6H-quinazolin-4-one (PubChem CID 90958016) has the molecular formula C8H5FN2O and a molecular weight of 164.14 g/mol. Its IUPAC name is 7-fluoro-6H-quinazolin-4-one.

Molecular Properties

Compound Name7-fluoro-6H-quinazolin-4-one
PubChem CID90958016
Molecular FormulaC8H5FN2O
Molecular Weight164.14 g/mol
Exact Mass164.04
IUPAC Name7-fluoro-6H-quinazolin-4-one
SMILESO=C1N=CN=C2C=C(F)CC=C12
InChIInChI=1S/C8H5FN2O/c9-5-1-2-6-7(3-5)10-4-11-8(6)12/h2-4H,1H2
InChIKeyFYQKIBLJZWWNDZ-UHFFFAOYSA-N
XLogP1.18
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 ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-8H-quinazolin-4-one
CID 90734363
2-chloro-6-fluoro-6H-quinazolin-4-one
CID 71302510
6-fluoro-6H-pyrido[3,4-d]pyrimidin-4-one
CID 71303963
6-fluoro-6H-quinazolin-4-one
CID 71303964
7-fluoro-6-methyl-4aH-quinazolin-4-one
CID 72245701
6-fluoro-2-methyl-6H-quinazolin-4-one
CID 75210775
2-methyl-6-(trifluoromethyl)-6H-quinazolin-4-one
CID 76831073
8-fluoro-8H-quinazolin-4-one
CID 76845720
5,6-difluoro-6H-quinazolin-4-one
CID 78166508
6-bromo-5-fluoro-6H-quinazolin-4-one
CID 178189768
Pyrimido[4,5-g]quinazoline-4,9-dione
CID 20244493
Quinazoline-4,6-dione
CID 54272177

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6H-quinazolin-4-one?
The IUPAC name of 7-fluoro-6H-quinazolin-4-one (CID 90958016) is 7-fluoro-6H-quinazolin-4-one.
What is the SMILES notation for 7-fluoro-6H-quinazolin-4-one?
The canonical SMILES for 7-fluoro-6H-quinazolin-4-one is O=C1N=CN=C2C=C(F)CC=C12.
What is the InChIKey of 7-fluoro-6H-quinazolin-4-one?
The InChIKey is FYQKIBLJZWWNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN2O/c9-5-1-2-6-7(3-5)10-4-11-8(6)12/h2-4H,1H2.
What are the key properties of 7-fluoro-6H-quinazolin-4-one?
7-fluoro-6H-quinazolin-4-one has a molecular weight of 164.14 g/mol, XLogP of 1.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6H-quinazolin-4-one is sourced from PubChem (CID 90958016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).