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

C10H9FN2O — CID 105445739

IUPAC4-ethyl-8-fluoro-3H-quinazolin-2-one
SMILESCCc1[nH]c(=O)nc2c(F)cccc12
InChIInChI=1S/C10H9FN2O/c1-2-8-6-4-3-5-7(11)9(6)13-10(14)12-8/h3-5H,2H2,1H3,(H,12,13,14)
InChIKeyFJEYSRPBITVQCR-UHFFFAOYSA-N
MW192.19 g/mol
LogP1.62
Rot. Bonds1

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

4-ethyl-8-fluoro-3H-quinazolin-2-one (PubChem CID 105445739) has the molecular formula C10H9FN2O and a molecular weight of 192.19 g/mol. Its IUPAC name is 4-ethyl-8-fluoro-3H-quinazolin-2-one.

Molecular Properties

Compound Name4-ethyl-8-fluoro-3H-quinazolin-2-one
PubChem CID105445739
Molecular FormulaC10H9FN2O
Molecular Weight192.19 g/mol
Exact Mass192.07
IUPAC Name4-ethyl-8-fluoro-3H-quinazolin-2-one
SMILESCCc1[nH]c(=O)nc2c(F)cccc12
InChIInChI=1S/C10H9FN2O/c1-2-8-6-4-3-5-7(11)9(6)13-10(14)12-8/h3-5H,2H2,1H3,(H,12,13,14)
InChIKeyFJEYSRPBITVQCR-UHFFFAOYSA-N
XLogP1.62
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-8-fluoro-3H-quinazolin-2-one?
The IUPAC name of 4-ethyl-8-fluoro-3H-quinazolin-2-one (CID 105445739) is 4-ethyl-8-fluoro-3H-quinazolin-2-one.
What is the SMILES notation for 4-ethyl-8-fluoro-3H-quinazolin-2-one?
The canonical SMILES for 4-ethyl-8-fluoro-3H-quinazolin-2-one is CCc1[nH]c(=O)nc2c(F)cccc12.
What is the InChIKey of 4-ethyl-8-fluoro-3H-quinazolin-2-one?
The InChIKey is FJEYSRPBITVQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O/c1-2-8-6-4-3-5-7(11)9(6)13-10(14)12-8/h3-5H,2H2,1H3,(H,12,13,14).
What are the key properties of 4-ethyl-8-fluoro-3H-quinazolin-2-one?
4-ethyl-8-fluoro-3H-quinazolin-2-one has a molecular weight of 192.19 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-8-fluoro-3H-quinazolin-2-one is sourced from PubChem (CID 105445739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).