2-(7-fluoro-2-methoxyquinolin-8-yl)propane-1,3-diol

C13H14FNO3 — CID 59803313

IUPAC2-(7-fluoro-2-methoxyquinolin-8-yl)propane-1,3-diol
SMILESCOc1ccc2ccc(F)c(C(CO)CO)c2n1
InChIInChI=1S/C13H14FNO3/c1-18-11-5-3-8-2-4-10(14)12(13(8)15-11)9(6-16)7-17/h2-5,9,16-17H,6-7H2,1H3
InChIKeyHOLHCRZBIUVQQH-UHFFFAOYSA-N
MW251.26 g/mol
LogP1.45
Rot. Bonds4

About 2-(7-fluoro-2-methoxyquinolin-8-yl)propane-1,3-diol

2-(7-fluoro-2-methoxyquinolin-8-yl)propane-1,3-diol (PubChem CID 59803313) has the molecular formula C13H14FNO3 and a molecular weight of 251.26 g/mol. Its IUPAC name is 2-(7-fluoro-2-methoxyquinolin-8-yl)propane-1,3-diol.

Molecular Properties

Compound Name2-(7-fluoro-2-methoxyquinolin-8-yl)propane-1,3-diol
PubChem CID59803313
Molecular FormulaC13H14FNO3
Molecular Weight251.26 g/mol
Exact Mass251.10
IUPAC Name2-(7-fluoro-2-methoxyquinolin-8-yl)propane-1,3-diol
SMILESCOc1ccc2ccc(F)c(C(CO)CO)c2n1
InChIInChI=1S/C13H14FNO3/c1-18-11-5-3-8-2-4-10(14)12(13(8)15-11)9(6-16)7-17/h2-5,9,16-17H,6-7H2,1H3
InChIKeyHOLHCRZBIUVQQH-UHFFFAOYSA-N
XLogP1.45
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-2-methoxyquinolin-8-yl)propane-1,3-diol?
The IUPAC name of 2-(7-fluoro-2-methoxyquinolin-8-yl)propane-1,3-diol (CID 59803313) is 2-(7-fluoro-2-methoxyquinolin-8-yl)propane-1,3-diol.
What is the SMILES notation for 2-(7-fluoro-2-methoxyquinolin-8-yl)propane-1,3-diol?
The canonical SMILES for 2-(7-fluoro-2-methoxyquinolin-8-yl)propane-1,3-diol is COc1ccc2ccc(F)c(C(CO)CO)c2n1.
What is the InChIKey of 2-(7-fluoro-2-methoxyquinolin-8-yl)propane-1,3-diol?
The InChIKey is HOLHCRZBIUVQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO3/c1-18-11-5-3-8-2-4-10(14)12(13(8)15-11)9(6-16)7-17/h2-5,9,16-17H,6-7H2,1H3.
What are the key properties of 2-(7-fluoro-2-methoxyquinolin-8-yl)propane-1,3-diol?
2-(7-fluoro-2-methoxyquinolin-8-yl)propane-1,3-diol has a molecular weight of 251.26 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-2-methoxyquinolin-8-yl)propane-1,3-diol is sourced from PubChem (CID 59803313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).