2-(8-fluoro-2-methoxy-6-methylquinazolin-4-yl)oxyethanol

C12H13FN2O3 — CID 154932861

IUPAC2-(8-fluoro-2-methoxy-6-methylquinazolin-4-yl)oxyethanol
SMILESCOc1nc(OCCO)c2cc(C)cc(F)c2n1
InChIInChI=1S/C12H13FN2O3/c1-7-5-8-10(9(13)6-7)14-12(17-2)15-11(8)18-4-3-16/h5-6,16H,3-4H2,1-2H3
InChIKeyIPRPDFAWCWTPDG-UHFFFAOYSA-N
MW252.24 g/mol
LogP1.46
Rot. Bonds4

About 2-(8-fluoro-2-methoxy-6-methylquinazolin-4-yl)oxyethanol

2-(8-fluoro-2-methoxy-6-methylquinazolin-4-yl)oxyethanol (PubChem CID 154932861) has the molecular formula C12H13FN2O3 and a molecular weight of 252.24 g/mol. Its IUPAC name is 2-(8-fluoro-2-methoxy-6-methylquinazolin-4-yl)oxyethanol.

Molecular Properties

Compound Name2-(8-fluoro-2-methoxy-6-methylquinazolin-4-yl)oxyethanol
PubChem CID154932861
Molecular FormulaC12H13FN2O3
Molecular Weight252.24 g/mol
Exact Mass252.09
IUPAC Name2-(8-fluoro-2-methoxy-6-methylquinazolin-4-yl)oxyethanol
SMILESCOc1nc(OCCO)c2cc(C)cc(F)c2n1
InChIInChI=1S/C12H13FN2O3/c1-7-5-8-10(9(13)6-7)14-12(17-2)15-11(8)18-4-3-16/h5-6,16H,3-4H2,1-2H3
InChIKeyIPRPDFAWCWTPDG-UHFFFAOYSA-N
XLogP1.46
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(8-fluoro-2-methoxy-6-methylquinazolin-4-yl)oxyethanol?
The IUPAC name of 2-(8-fluoro-2-methoxy-6-methylquinazolin-4-yl)oxyethanol (CID 154932861) is 2-(8-fluoro-2-methoxy-6-methylquinazolin-4-yl)oxyethanol.
What is the SMILES notation for 2-(8-fluoro-2-methoxy-6-methylquinazolin-4-yl)oxyethanol?
The canonical SMILES for 2-(8-fluoro-2-methoxy-6-methylquinazolin-4-yl)oxyethanol is COc1nc(OCCO)c2cc(C)cc(F)c2n1.
What is the InChIKey of 2-(8-fluoro-2-methoxy-6-methylquinazolin-4-yl)oxyethanol?
The InChIKey is IPRPDFAWCWTPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O3/c1-7-5-8-10(9(13)6-7)14-12(17-2)15-11(8)18-4-3-16/h5-6,16H,3-4H2,1-2H3.
What are the key properties of 2-(8-fluoro-2-methoxy-6-methylquinazolin-4-yl)oxyethanol?
2-(8-fluoro-2-methoxy-6-methylquinazolin-4-yl)oxyethanol has a molecular weight of 252.24 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-fluoro-2-methoxy-6-methylquinazolin-4-yl)oxyethanol is sourced from PubChem (CID 154932861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).