5,7-difluoro-4aH-quinazolin-4-one

C8H4F2N2O — CID 73158524

IUPAC5,7-difluoro-4aH-quinazolin-4-one
SMILESO=C1N=CN=C2C=C(F)C=C(F)C12
InChIInChI=1S/C8H4F2N2O/c9-4-1-5(10)7-6(2-4)11-3-12-8(7)13/h1-3,7H
InChIKeyOFIHCYBUKUJVOQ-UHFFFAOYSA-N
MW182.13 g/mol
LogP1.33
Rot. Bonds

About 5,7-difluoro-4aH-quinazolin-4-one

5,7-difluoro-4aH-quinazolin-4-one (PubChem CID 73158524) has the molecular formula C8H4F2N2O and a molecular weight of 182.13 g/mol. Its IUPAC name is 5,7-difluoro-4aH-quinazolin-4-one.

Molecular Properties

Compound Name5,7-difluoro-4aH-quinazolin-4-one
PubChem CID73158524
Molecular FormulaC8H4F2N2O
Molecular Weight182.13 g/mol
Exact Mass182.03
IUPAC Name5,7-difluoro-4aH-quinazolin-4-one
SMILESO=C1N=CN=C2C=C(F)C=C(F)C12
InChIInChI=1S/C8H4F2N2O/c9-4-1-5(10)7-6(2-4)11-3-12-8(7)13/h1-3,7H
InChIKeyOFIHCYBUKUJVOQ-UHFFFAOYSA-N
XLogP1.33
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.13
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-Fluoroquinazolin-4(4aH)-one
CID 71304042
2-chloro-7-fluoro-4aH-quinazolin-4-one
CID 71302517
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
5-methyl-2-(trifluoromethyl)-4aH-quinazolin-4-one
CID 73866466

Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-4aH-quinazolin-4-one?
The IUPAC name of 5,7-difluoro-4aH-quinazolin-4-one (CID 73158524) is 5,7-difluoro-4aH-quinazolin-4-one.
What is the SMILES notation for 5,7-difluoro-4aH-quinazolin-4-one?
The canonical SMILES for 5,7-difluoro-4aH-quinazolin-4-one is O=C1N=CN=C2C=C(F)C=C(F)C12.
What is the InChIKey of 5,7-difluoro-4aH-quinazolin-4-one?
The InChIKey is OFIHCYBUKUJVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F2N2O/c9-4-1-5(10)7-6(2-4)11-3-12-8(7)13/h1-3,7H.
What are the key properties of 5,7-difluoro-4aH-quinazolin-4-one?
5,7-difluoro-4aH-quinazolin-4-one has a molecular weight of 182.13 g/mol, XLogP of 1.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-4aH-quinazolin-4-one is sourced from PubChem (CID 73158524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).