2-(8-fluoro-2,6-dimethylquinolin-4-yl)propan-2-ol

C14H16FNO — CID 163381406

IUPAC2-(8-fluoro-2,6-dimethylquinolin-4-yl)propan-2-ol
SMILESCc1cc(F)c2nc(C)cc(C(C)(C)O)c2c1
InChIInChI=1S/C14H16FNO/c1-8-5-10-11(14(3,4)17)7-9(2)16-13(10)12(15)6-8/h5-7,17H,1-4H3
InChIKeyVWECCVROSPWNTC-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.22
Rot. Bonds1

About 2-(8-fluoro-2,6-dimethylquinolin-4-yl)propan-2-ol

2-(8-fluoro-2,6-dimethylquinolin-4-yl)propan-2-ol (PubChem CID 163381406) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-(8-fluoro-2,6-dimethylquinolin-4-yl)propan-2-ol.

Molecular Properties

Compound Name2-(8-fluoro-2,6-dimethylquinolin-4-yl)propan-2-ol
PubChem CID163381406
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC Name2-(8-fluoro-2,6-dimethylquinolin-4-yl)propan-2-ol
SMILESCc1cc(F)c2nc(C)cc(C(C)(C)O)c2c1
InChIInChI=1S/C14H16FNO/c1-8-5-10-11(14(3,4)17)7-9(2)16-13(10)12(15)6-8/h5-7,17H,1-4H3
InChIKeyVWECCVROSPWNTC-UHFFFAOYSA-N
XLogP3.22
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(8-fluoro-2,6-dimethylquinolin-4-yl)propan-2-ol?
The IUPAC name of 2-(8-fluoro-2,6-dimethylquinolin-4-yl)propan-2-ol (CID 163381406) is 2-(8-fluoro-2,6-dimethylquinolin-4-yl)propan-2-ol.
What is the SMILES notation for 2-(8-fluoro-2,6-dimethylquinolin-4-yl)propan-2-ol?
The canonical SMILES for 2-(8-fluoro-2,6-dimethylquinolin-4-yl)propan-2-ol is Cc1cc(F)c2nc(C)cc(C(C)(C)O)c2c1.
What is the InChIKey of 2-(8-fluoro-2,6-dimethylquinolin-4-yl)propan-2-ol?
The InChIKey is VWECCVROSPWNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO/c1-8-5-10-11(14(3,4)17)7-9(2)16-13(10)12(15)6-8/h5-7,17H,1-4H3.
What are the key properties of 2-(8-fluoro-2,6-dimethylquinolin-4-yl)propan-2-ol?
2-(8-fluoro-2,6-dimethylquinolin-4-yl)propan-2-ol has a molecular weight of 233.29 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-fluoro-2,6-dimethylquinolin-4-yl)propan-2-ol is sourced from PubChem (CID 163381406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).