7-fluoro-4aH-quinazolin-4-one

C8H5FN2O — CID 71304042

IUPAC7-fluoro-4aH-quinazolin-4-one
SMILESO=C1N=CN=C2C=C(F)C=CC12
InChIInChI=1S/C8H5FN2O/c9-5-1-2-6-7(3-5)10-4-11-8(6)12/h1-4,6H
InChIKeyFSZJCRYKBZSNRS-UHFFFAOYSA-N
MW164.14 g/mol
LogP1.04
Rot. Bonds

About 7-fluoro-4aH-quinazolin-4-one

7-fluoro-4aH-quinazolin-4-one (PubChem CID 71304042) has the molecular formula C8H5FN2O and a molecular weight of 164.14 g/mol. Its IUPAC name is 7-fluoro-4aH-quinazolin-4-one.

Molecular Properties

Compound Name7-fluoro-4aH-quinazolin-4-one
PubChem CID71304042
Molecular FormulaC8H5FN2O
Molecular Weight164.14 g/mol
Exact Mass164.04
IUPAC Name7-fluoro-4aH-quinazolin-4-one
SMILESO=C1N=CN=C2C=C(F)C=CC12
InChIInChI=1S/C8H5FN2O/c9-5-1-2-6-7(3-5)10-4-11-8(6)12/h1-4,6H
InChIKeyFSZJCRYKBZSNRS-UHFFFAOYSA-N
XLogP1.04
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 ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-Chloro-5-iodo-4(4aH)-quinazolinone
CID 374002
2-chloro-7-fluoro-4aH-quinazolin-4-one
CID 71302517
6-fluoro-6H-quinazolin-4-one
CID 71303964
2-chloro-6-fluoro-4aH-quinazolin-4-one
CID 71650346
6-Fluoro-4(4aH)-quinazolinone
CID 71650446
7-fluoro-6-methyl-4aH-quinazolin-4-one
CID 72245701
2,7-dichloro-6-fluoro-4aH-quinazolin-4-one
CID 72256640
5,8-difluoro-4aH-quinazolin-4-one
CID 72534678
6,7-difluoro-2-methyl-4aH-quinazolin-4-one
CID 72556741
7-(trifluoromethyl)-4aH-quinazolin-4-one
CID 72733956
6-(trifluoromethyl)-4aH-quinazolin-4-one
CID 72737856
2-amino-5-(trifluoromethyl)-4aH-quinazolin-4-one
CID 72739866

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4aH-quinazolin-4-one?
The IUPAC name of 7-fluoro-4aH-quinazolin-4-one (CID 71304042) is 7-fluoro-4aH-quinazolin-4-one.
What is the SMILES notation for 7-fluoro-4aH-quinazolin-4-one?
The canonical SMILES for 7-fluoro-4aH-quinazolin-4-one is O=C1N=CN=C2C=C(F)C=CC12.
What is the InChIKey of 7-fluoro-4aH-quinazolin-4-one?
The InChIKey is FSZJCRYKBZSNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN2O/c9-5-1-2-6-7(3-5)10-4-11-8(6)12/h1-4,6H.
What are the key properties of 7-fluoro-4aH-quinazolin-4-one?
7-fluoro-4aH-quinazolin-4-one has a molecular weight of 164.14 g/mol, XLogP of 1.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4aH-quinazolin-4-one is sourced from PubChem (CID 71304042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).