(6-bromo-2-methoxyquinolin-3-yl)-(2-fluorophenyl)methanol

C17H13BrFNO2 — CID 59766873

IUPAC(6-bromo-2-methoxyquinolin-3-yl)-(2-fluorophenyl)methanol
SMILESCOc1nc2ccc(Br)cc2cc1C(O)c1ccccc1F
InChIInChI=1S/C17H13BrFNO2/c1-22-17-13(16(21)12-4-2-3-5-14(12)19)9-10-8-11(18)6-7-15(10)20-17/h2-9,16,21H,1H3
InChIKeyDGBZVDDDTDBORB-UHFFFAOYSA-N
MW362.20 g/mol
LogP4.23
Rot. Bonds3

About (6-bromo-2-methoxyquinolin-3-yl)-(2-fluorophenyl)methanol

(6-bromo-2-methoxyquinolin-3-yl)-(2-fluorophenyl)methanol (PubChem CID 59766873) has the molecular formula C17H13BrFNO2 and a molecular weight of 362.20 g/mol. Its IUPAC name is (6-bromo-2-methoxyquinolin-3-yl)-(2-fluorophenyl)methanol.

Molecular Properties

Compound Name(6-bromo-2-methoxyquinolin-3-yl)-(2-fluorophenyl)methanol
PubChem CID59766873
Molecular FormulaC17H13BrFNO2
Molecular Weight362.20 g/mol
Exact Mass361.01
IUPAC Name(6-bromo-2-methoxyquinolin-3-yl)-(2-fluorophenyl)methanol
SMILESCOc1nc2ccc(Br)cc2cc1C(O)c1ccccc1F
InChIInChI=1S/C17H13BrFNO2/c1-22-17-13(16(21)12-4-2-3-5-14(12)19)9-10-8-11(18)6-7-15(10)20-17/h2-9,16,21H,1H3
InChIKeyDGBZVDDDTDBORB-UHFFFAOYSA-N
XLogP4.23
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.20
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-bromo-2-methoxyquinolin-3-yl)-(2-fluorophenyl)methanol?
The IUPAC name of (6-bromo-2-methoxyquinolin-3-yl)-(2-fluorophenyl)methanol (CID 59766873) is (6-bromo-2-methoxyquinolin-3-yl)-(2-fluorophenyl)methanol.
What is the SMILES notation for (6-bromo-2-methoxyquinolin-3-yl)-(2-fluorophenyl)methanol?
The canonical SMILES for (6-bromo-2-methoxyquinolin-3-yl)-(2-fluorophenyl)methanol is COc1nc2ccc(Br)cc2cc1C(O)c1ccccc1F.
What is the InChIKey of (6-bromo-2-methoxyquinolin-3-yl)-(2-fluorophenyl)methanol?
The InChIKey is DGBZVDDDTDBORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrFNO2/c1-22-17-13(16(21)12-4-2-3-5-14(12)19)9-10-8-11(18)6-7-15(10)20-17/h2-9,16,21H,1H3.
What are the key properties of (6-bromo-2-methoxyquinolin-3-yl)-(2-fluorophenyl)methanol?
(6-bromo-2-methoxyquinolin-3-yl)-(2-fluorophenyl)methanol has a molecular weight of 362.20 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-2-methoxyquinolin-3-yl)-(2-fluorophenyl)methanol is sourced from PubChem (CID 59766873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).