3-(1,1-difluoropentyl)-7-methoxy-1,2-dihydroquinolin-2-ol

C15H19F2NO2 — CID 90058173

IUPAC3-(1,1-difluoropentyl)-7-methoxy-1,2-dihydroquinolin-2-ol
SMILESCCCCC(F)(F)C1=Cc2ccc(OC)cc2NC1O
InChIInChI=1S/C15H19F2NO2/c1-3-4-7-15(16,17)12-8-10-5-6-11(20-2)9-13(10)18-14(12)19/h5-6,8-9,14,18-19H,3-4,7H2,1-2H3
InChIKeyWGHLQDDAMZOFBX-UHFFFAOYSA-N
MW283.32 g/mol
LogP3.65
Rot. Bonds5

About 3-(1,1-difluoropentyl)-7-methoxy-1,2-dihydroquinolin-2-ol

3-(1,1-difluoropentyl)-7-methoxy-1,2-dihydroquinolin-2-ol (PubChem CID 90058173) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is 3-(1,1-difluoropentyl)-7-methoxy-1,2-dihydroquinolin-2-ol.

Molecular Properties

Compound Name3-(1,1-difluoropentyl)-7-methoxy-1,2-dihydroquinolin-2-ol
PubChem CID90058173
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name3-(1,1-difluoropentyl)-7-methoxy-1,2-dihydroquinolin-2-ol
SMILESCCCCC(F)(F)C1=Cc2ccc(OC)cc2NC1O
InChIInChI=1S/C15H19F2NO2/c1-3-4-7-15(16,17)12-8-10-5-6-11(20-2)9-13(10)18-14(12)19/h5-6,8-9,14,18-19H,3-4,7H2,1-2H3
InChIKeyWGHLQDDAMZOFBX-UHFFFAOYSA-N
XLogP3.65
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoropentyl)-7-methoxy-1,2-dihydroquinolin-2-ol?
The IUPAC name of 3-(1,1-difluoropentyl)-7-methoxy-1,2-dihydroquinolin-2-ol (CID 90058173) is 3-(1,1-difluoropentyl)-7-methoxy-1,2-dihydroquinolin-2-ol.
What is the SMILES notation for 3-(1,1-difluoropentyl)-7-methoxy-1,2-dihydroquinolin-2-ol?
The canonical SMILES for 3-(1,1-difluoropentyl)-7-methoxy-1,2-dihydroquinolin-2-ol is CCCCC(F)(F)C1=Cc2ccc(OC)cc2NC1O.
What is the InChIKey of 3-(1,1-difluoropentyl)-7-methoxy-1,2-dihydroquinolin-2-ol?
The InChIKey is WGHLQDDAMZOFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO2/c1-3-4-7-15(16,17)12-8-10-5-6-11(20-2)9-13(10)18-14(12)19/h5-6,8-9,14,18-19H,3-4,7H2,1-2H3.
What are the key properties of 3-(1,1-difluoropentyl)-7-methoxy-1,2-dihydroquinolin-2-ol?
3-(1,1-difluoropentyl)-7-methoxy-1,2-dihydroquinolin-2-ol has a molecular weight of 283.32 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoropentyl)-7-methoxy-1,2-dihydroquinolin-2-ol is sourced from PubChem (CID 90058173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).