1-(7-fluoro-2-methoxyquinazolin-8-yl)ethane-1,2-diol

C11H11FN2O3 — CID 67352604

IUPAC1-(7-fluoro-2-methoxyquinazolin-8-yl)ethane-1,2-diol
SMILESCOc1ncc2ccc(F)c(C(O)CO)c2n1
InChIInChI=1S/C11H11FN2O3/c1-17-11-13-4-6-2-3-7(12)9(8(16)5-15)10(6)14-11/h2-4,8,15-16H,5H2,1H3
InChIKeyTYJVJQSIXRGYPC-UHFFFAOYSA-N
MW238.22 g/mol
LogP0.80
Rot. Bonds3

About 1-(7-fluoro-2-methoxyquinazolin-8-yl)ethane-1,2-diol

1-(7-fluoro-2-methoxyquinazolin-8-yl)ethane-1,2-diol (PubChem CID 67352604) has the molecular formula C11H11FN2O3 and a molecular weight of 238.22 g/mol. Its IUPAC name is 1-(7-fluoro-2-methoxyquinazolin-8-yl)ethane-1,2-diol.

Molecular Properties

Compound Name1-(7-fluoro-2-methoxyquinazolin-8-yl)ethane-1,2-diol
PubChem CID67352604
Molecular FormulaC11H11FN2O3
Molecular Weight238.22 g/mol
Exact Mass238.08
IUPAC Name1-(7-fluoro-2-methoxyquinazolin-8-yl)ethane-1,2-diol
SMILESCOc1ncc2ccc(F)c(C(O)CO)c2n1
InChIInChI=1S/C11H11FN2O3/c1-17-11-13-4-6-2-3-7(12)9(8(16)5-15)10(6)14-11/h2-4,8,15-16H,5H2,1H3
InChIKeyTYJVJQSIXRGYPC-UHFFFAOYSA-N
XLogP0.80
TPSA75.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-2-methoxyquinazolin-8-yl)ethane-1,2-diol?
The IUPAC name of 1-(7-fluoro-2-methoxyquinazolin-8-yl)ethane-1,2-diol (CID 67352604) is 1-(7-fluoro-2-methoxyquinazolin-8-yl)ethane-1,2-diol.
What is the SMILES notation for 1-(7-fluoro-2-methoxyquinazolin-8-yl)ethane-1,2-diol?
The canonical SMILES for 1-(7-fluoro-2-methoxyquinazolin-8-yl)ethane-1,2-diol is COc1ncc2ccc(F)c(C(O)CO)c2n1.
What is the InChIKey of 1-(7-fluoro-2-methoxyquinazolin-8-yl)ethane-1,2-diol?
The InChIKey is TYJVJQSIXRGYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O3/c1-17-11-13-4-6-2-3-7(12)9(8(16)5-15)10(6)14-11/h2-4,8,15-16H,5H2,1H3.
What are the key properties of 1-(7-fluoro-2-methoxyquinazolin-8-yl)ethane-1,2-diol?
1-(7-fluoro-2-methoxyquinazolin-8-yl)ethane-1,2-diol has a molecular weight of 238.22 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-2-methoxyquinazolin-8-yl)ethane-1,2-diol is sourced from PubChem (CID 67352604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).