8-fluoro-4-propyl-3H-quinazolin-2-one

C11H11FN2O — CID 105458506

IUPAC8-fluoro-4-propyl-3H-quinazolin-2-one
SMILESCCCc1[nH]c(=O)nc2c(F)cccc12
InChIInChI=1S/C11H11FN2O/c1-2-4-9-7-5-3-6-8(12)10(7)14-11(15)13-9/h3,5-6H,2,4H2,1H3,(H,13,14,15)
InChIKeyRJMJMIPIFQIXRE-UHFFFAOYSA-N
MW206.22 g/mol
LogP2.01
Rot. Bonds2

About 8-fluoro-4-propyl-3H-quinazolin-2-one

8-fluoro-4-propyl-3H-quinazolin-2-one (PubChem CID 105458506) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 8-fluoro-4-propyl-3H-quinazolin-2-one.

Molecular Properties

Compound Name8-fluoro-4-propyl-3H-quinazolin-2-one
PubChem CID105458506
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name8-fluoro-4-propyl-3H-quinazolin-2-one
SMILESCCCc1[nH]c(=O)nc2c(F)cccc12
InChIInChI=1S/C11H11FN2O/c1-2-4-9-7-5-3-6-8(12)10(7)14-11(15)13-9/h3,5-6H,2,4H2,1H3,(H,13,14,15)
InChIKeyRJMJMIPIFQIXRE-UHFFFAOYSA-N
XLogP2.01
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-propyl-3H-quinazolin-2-one?
The IUPAC name of 8-fluoro-4-propyl-3H-quinazolin-2-one (CID 105458506) is 8-fluoro-4-propyl-3H-quinazolin-2-one.
What is the SMILES notation for 8-fluoro-4-propyl-3H-quinazolin-2-one?
The canonical SMILES for 8-fluoro-4-propyl-3H-quinazolin-2-one is CCCc1[nH]c(=O)nc2c(F)cccc12.
What is the InChIKey of 8-fluoro-4-propyl-3H-quinazolin-2-one?
The InChIKey is RJMJMIPIFQIXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-2-4-9-7-5-3-6-8(12)10(7)14-11(15)13-9/h3,5-6H,2,4H2,1H3,(H,13,14,15).
What are the key properties of 8-fluoro-4-propyl-3H-quinazolin-2-one?
8-fluoro-4-propyl-3H-quinazolin-2-one has a molecular weight of 206.22 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-propyl-3H-quinazolin-2-one is sourced from PubChem (CID 105458506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).