2-(2,8-difluoro-6-methylquinolin-4-yl)propan-2-ol

C13H13F2NO — CID 164570381

IUPAC2-(2,8-difluoro-6-methylquinolin-4-yl)propan-2-ol
SMILESCc1cc(F)c2nc(F)cc(C(C)(C)O)c2c1
InChIInChI=1S/C13H13F2NO/c1-7-4-8-9(13(2,3)17)6-11(15)16-12(8)10(14)5-7/h4-6,17H,1-3H3
InChIKeyRYWRLEJRLNDJIS-UHFFFAOYSA-N
MW237.25 g/mol
LogP3.05
Rot. Bonds1

About 2-(2,8-difluoro-6-methylquinolin-4-yl)propan-2-ol

2-(2,8-difluoro-6-methylquinolin-4-yl)propan-2-ol (PubChem CID 164570381) has the molecular formula C13H13F2NO and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-(2,8-difluoro-6-methylquinolin-4-yl)propan-2-ol.

Molecular Properties

Compound Name2-(2,8-difluoro-6-methylquinolin-4-yl)propan-2-ol
PubChem CID164570381
Molecular FormulaC13H13F2NO
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name2-(2,8-difluoro-6-methylquinolin-4-yl)propan-2-ol
SMILESCc1cc(F)c2nc(F)cc(C(C)(C)O)c2c1
InChIInChI=1S/C13H13F2NO/c1-7-4-8-9(13(2,3)17)6-11(15)16-12(8)10(14)5-7/h4-6,17H,1-3H3
InChIKeyRYWRLEJRLNDJIS-UHFFFAOYSA-N
XLogP3.05
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,8-difluoro-6-methylquinolin-4-yl)propan-2-ol?
The IUPAC name of 2-(2,8-difluoro-6-methylquinolin-4-yl)propan-2-ol (CID 164570381) is 2-(2,8-difluoro-6-methylquinolin-4-yl)propan-2-ol.
What is the SMILES notation for 2-(2,8-difluoro-6-methylquinolin-4-yl)propan-2-ol?
The canonical SMILES for 2-(2,8-difluoro-6-methylquinolin-4-yl)propan-2-ol is Cc1cc(F)c2nc(F)cc(C(C)(C)O)c2c1.
What is the InChIKey of 2-(2,8-difluoro-6-methylquinolin-4-yl)propan-2-ol?
The InChIKey is RYWRLEJRLNDJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO/c1-7-4-8-9(13(2,3)17)6-11(15)16-12(8)10(14)5-7/h4-6,17H,1-3H3.
What are the key properties of 2-(2,8-difluoro-6-methylquinolin-4-yl)propan-2-ol?
2-(2,8-difluoro-6-methylquinolin-4-yl)propan-2-ol has a molecular weight of 237.25 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,8-difluoro-6-methylquinolin-4-yl)propan-2-ol is sourced from PubChem (CID 164570381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).