(8-bromo-4-chloro-6-methylquinazolin-2-yl)methanol

C10H8BrClN2O — CID 174656084

IUPAC(8-bromo-4-chloro-6-methylquinazolin-2-yl)methanol
SMILESCc1cc(Br)c2nc(CO)nc(Cl)c2c1
InChIInChI=1S/C10H8BrClN2O/c1-5-2-6-9(7(11)3-5)13-8(4-15)14-10(6)12/h2-3,15H,4H2,1H3
InChIKeyZOCWYKOPBVLIJW-UHFFFAOYSA-N
MW287.54 g/mol
LogP2.85
Rot. Bonds1

About (8-bromo-4-chloro-6-methylquinazolin-2-yl)methanol

(8-bromo-4-chloro-6-methylquinazolin-2-yl)methanol (PubChem CID 174656084) has the molecular formula C10H8BrClN2O and a molecular weight of 287.54 g/mol. Its IUPAC name is (8-bromo-4-chloro-6-methylquinazolin-2-yl)methanol.

Molecular Properties

Compound Name(8-bromo-4-chloro-6-methylquinazolin-2-yl)methanol
PubChem CID174656084
Molecular FormulaC10H8BrClN2O
Molecular Weight287.54 g/mol
Exact Mass285.95
IUPAC Name(8-bromo-4-chloro-6-methylquinazolin-2-yl)methanol
SMILESCc1cc(Br)c2nc(CO)nc(Cl)c2c1
InChIInChI=1S/C10H8BrClN2O/c1-5-2-6-9(7(11)3-5)13-8(4-15)14-10(6)12/h2-3,15H,4H2,1H3
InChIKeyZOCWYKOPBVLIJW-UHFFFAOYSA-N
XLogP2.85
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.54
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8-bromo-4-chloro-6-methylquinazolin-2-yl)methanol?
The IUPAC name of (8-bromo-4-chloro-6-methylquinazolin-2-yl)methanol (CID 174656084) is (8-bromo-4-chloro-6-methylquinazolin-2-yl)methanol.
What is the SMILES notation for (8-bromo-4-chloro-6-methylquinazolin-2-yl)methanol?
The canonical SMILES for (8-bromo-4-chloro-6-methylquinazolin-2-yl)methanol is Cc1cc(Br)c2nc(CO)nc(Cl)c2c1.
What is the InChIKey of (8-bromo-4-chloro-6-methylquinazolin-2-yl)methanol?
The InChIKey is ZOCWYKOPBVLIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2O/c1-5-2-6-9(7(11)3-5)13-8(4-15)14-10(6)12/h2-3,15H,4H2,1H3.
What are the key properties of (8-bromo-4-chloro-6-methylquinazolin-2-yl)methanol?
(8-bromo-4-chloro-6-methylquinazolin-2-yl)methanol has a molecular weight of 287.54 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-bromo-4-chloro-6-methylquinazolin-2-yl)methanol is sourced from PubChem (CID 174656084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).