6-ethoxy-7-fluoro-3H-quinazolin-4-one

C10H9FN2O2 — CID 136677481

IUPAC6-ethoxy-7-fluoro-3H-quinazolin-4-one
SMILESCCOc1cc2c(=O)[nH]cnc2cc1F
InChIInChI=1S/C10H9FN2O2/c1-2-15-9-3-6-8(4-7(9)11)12-5-13-10(6)14/h3-5H,2H2,1H3,(H,12,13,14)
InChIKeyUQNWMPJVOQOBRG-UHFFFAOYSA-N
MW208.19 g/mol
LogP1.46
Rot. Bonds2

About 6-ethoxy-7-fluoro-3H-quinazolin-4-one

6-ethoxy-7-fluoro-3H-quinazolin-4-one (PubChem CID 136677481) has the molecular formula C10H9FN2O2 and a molecular weight of 208.19 g/mol. Its IUPAC name is 6-ethoxy-7-fluoro-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-ethoxy-7-fluoro-3H-quinazolin-4-one
PubChem CID136677481
Molecular FormulaC10H9FN2O2
Molecular Weight208.19 g/mol
Exact Mass208.06
IUPAC Name6-ethoxy-7-fluoro-3H-quinazolin-4-one
SMILESCCOc1cc2c(=O)[nH]cnc2cc1F
InChIInChI=1S/C10H9FN2O2/c1-2-15-9-3-6-8(4-7(9)11)12-5-13-10(6)14/h3-5H,2H2,1H3,(H,12,13,14)
InChIKeyUQNWMPJVOQOBRG-UHFFFAOYSA-N
XLogP1.46
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 157046909
CID 157046909
7-fluoro-6-(methylamino)-3H-quinazolin-4-one
CID 146792791
7-fluoro-6-methylsulfanyl-3H-quinazolin-4-one;formic acid
CID 135745152
6,7-bis(2-methoxyethoxy)-3H-quinazolin-4-one;ethane
CID 143274794
1,4-diethoxy-2,5-difluorobenzene
CID 58718970
4-bromo-6-ethoxy-7-fluoroquinoline
CID 114764168
3,4-dibromo-6-ethoxy-7-fluoroquinoline
CID 114764166
6,7-dimethoxy-3H-quinazolin-4-one;formamide
CID 158241473
7-methoxy-6-methyl-3H-quinazolin-4-one
CID 135980182
7-(2-chloroethoxy)-6-methoxy-3H-quinazolin-4-one
CID 135589778
ethyl 4-oxo-3H-quinazoline-6-carboxylate
CID 135742218
7-fluoro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 135456619

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-7-fluoro-3H-quinazolin-4-one?
The IUPAC name of 6-ethoxy-7-fluoro-3H-quinazolin-4-one (CID 136677481) is 6-ethoxy-7-fluoro-3H-quinazolin-4-one.
What is the SMILES notation for 6-ethoxy-7-fluoro-3H-quinazolin-4-one?
The canonical SMILES for 6-ethoxy-7-fluoro-3H-quinazolin-4-one is CCOc1cc2c(=O)[nH]cnc2cc1F.
What is the InChIKey of 6-ethoxy-7-fluoro-3H-quinazolin-4-one?
The InChIKey is UQNWMPJVOQOBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2/c1-2-15-9-3-6-8(4-7(9)11)12-5-13-10(6)14/h3-5H,2H2,1H3,(H,12,13,14).
What are the key properties of 6-ethoxy-7-fluoro-3H-quinazolin-4-one?
6-ethoxy-7-fluoro-3H-quinazolin-4-one has a molecular weight of 208.19 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-7-fluoro-3H-quinazolin-4-one is sourced from PubChem (CID 136677481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).