(6-bromo-8-methoxyquinazolin-2-yl)methanol

C10H9BrN2O2 — CID 156873044

IUPAC(6-bromo-8-methoxyquinazolin-2-yl)methanol
SMILESCOc1cc(Br)cc2cnc(CO)nc12
InChIInChI=1S/C10H9BrN2O2/c1-15-8-3-7(11)2-6-4-12-9(5-14)13-10(6)8/h2-4,14H,5H2,1H3
InChIKeyFBFJCOKNNFHJSI-UHFFFAOYSA-N
MW269.10 g/mol
LogP1.89
Rot. Bonds2

About (6-bromo-8-methoxyquinazolin-2-yl)methanol

(6-bromo-8-methoxyquinazolin-2-yl)methanol (PubChem CID 156873044) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is (6-bromo-8-methoxyquinazolin-2-yl)methanol.

Molecular Properties

Compound Name(6-bromo-8-methoxyquinazolin-2-yl)methanol
PubChem CID156873044
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC Name(6-bromo-8-methoxyquinazolin-2-yl)methanol
SMILESCOc1cc(Br)cc2cnc(CO)nc12
InChIInChI=1S/C10H9BrN2O2/c1-15-8-3-7(11)2-6-4-12-9(5-14)13-10(6)8/h2-4,14H,5H2,1H3
InChIKeyFBFJCOKNNFHJSI-UHFFFAOYSA-N
XLogP1.89
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-bromo-8-methoxyquinazolin-2-yl)methanol?
The IUPAC name of (6-bromo-8-methoxyquinazolin-2-yl)methanol (CID 156873044) is (6-bromo-8-methoxyquinazolin-2-yl)methanol.
What is the SMILES notation for (6-bromo-8-methoxyquinazolin-2-yl)methanol?
The canonical SMILES for (6-bromo-8-methoxyquinazolin-2-yl)methanol is COc1cc(Br)cc2cnc(CO)nc12.
What is the InChIKey of (6-bromo-8-methoxyquinazolin-2-yl)methanol?
The InChIKey is FBFJCOKNNFHJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c1-15-8-3-7(11)2-6-4-12-9(5-14)13-10(6)8/h2-4,14H,5H2,1H3.
What are the key properties of (6-bromo-8-methoxyquinazolin-2-yl)methanol?
(6-bromo-8-methoxyquinazolin-2-yl)methanol has a molecular weight of 269.10 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-8-methoxyquinazolin-2-yl)methanol is sourced from PubChem (CID 156873044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).