1-(6-fluoroquinazolin-2-yl)ethanone

C10H7FN2O — CID 105444021

IUPAC1-(6-fluoroquinazolin-2-yl)ethanone
SMILESCC(=O)c1ncc2cc(F)ccc2n1
InChIInChI=1S/C10H7FN2O/c1-6(14)10-12-5-7-4-8(11)2-3-9(7)13-10/h2-5H,1H3
InChIKeyHBNACVQBKBCANM-UHFFFAOYSA-N
MW190.18 g/mol
LogP1.97
Rot. Bonds1

About 1-(6-fluoroquinazolin-2-yl)ethanone

1-(6-fluoroquinazolin-2-yl)ethanone (PubChem CID 105444021) has the molecular formula C10H7FN2O and a molecular weight of 190.18 g/mol. Its IUPAC name is 1-(6-fluoroquinazolin-2-yl)ethanone.

Molecular Properties

Compound Name1-(6-fluoroquinazolin-2-yl)ethanone
PubChem CID105444021
Molecular FormulaC10H7FN2O
Molecular Weight190.18 g/mol
Exact Mass190.05
IUPAC Name1-(6-fluoroquinazolin-2-yl)ethanone
SMILESCC(=O)c1ncc2cc(F)ccc2n1
InChIInChI=1S/C10H7FN2O/c1-6(14)10-12-5-7-4-8(11)2-3-9(7)13-10/h2-5H,1H3
InChIKeyHBNACVQBKBCANM-UHFFFAOYSA-N
XLogP1.97
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.18
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoroquinazolin-2-yl)ethanone?
The IUPAC name of 1-(6-fluoroquinazolin-2-yl)ethanone (CID 105444021) is 1-(6-fluoroquinazolin-2-yl)ethanone.
What is the SMILES notation for 1-(6-fluoroquinazolin-2-yl)ethanone?
The canonical SMILES for 1-(6-fluoroquinazolin-2-yl)ethanone is CC(=O)c1ncc2cc(F)ccc2n1.
What is the InChIKey of 1-(6-fluoroquinazolin-2-yl)ethanone?
The InChIKey is HBNACVQBKBCANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O/c1-6(14)10-12-5-7-4-8(11)2-3-9(7)13-10/h2-5H,1H3.
What are the key properties of 1-(6-fluoroquinazolin-2-yl)ethanone?
1-(6-fluoroquinazolin-2-yl)ethanone has a molecular weight of 190.18 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoroquinazolin-2-yl)ethanone is sourced from PubChem (CID 105444021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).