2-(2,4-difluorophenyl)-1,1-difluoro-1-(6-propylquinolin-2-yl)-3-(1,2,4-triazol-4-yl)propan-2-ol

C23H20F4N4O — CID 162567636

IUPAC2-(2,4-difluorophenyl)-1,1-difluoro-1-(6-propylquinolin-2-yl)-3-(1,2,4-triazol-4-yl)propan-2-ol
SMILESCCCc1ccc2nc(C(F)(F)C(O)(Cn3cnnc3)c3ccc(F)cc3F)ccc2c1
InChIInChI=1S/C23H20F4N4O/c1-2-3-15-4-8-20-16(10-15)5-9-21(30-20)23(26,27)22(32,12-31-13-28-29-14-31)18-7-6-17(24)11-19(18)25/h4-11,13-14,32H,2-3,12H2,1H3
InChIKeyHMDIANOQPYWBDK-UHFFFAOYSA-N
MW444.43 g/mol
LogP4.74
Rot. Bonds7

About 2-(2,4-difluorophenyl)-1,1-difluoro-1-(6-propylquinolin-2-yl)-3-(1,2,4-triazol-4-yl)propan-2-ol

2-(2,4-difluorophenyl)-1,1-difluoro-1-(6-propylquinolin-2-yl)-3-(1,2,4-triazol-4-yl)propan-2-ol (PubChem CID 162567636) has the molecular formula C23H20F4N4O and a molecular weight of 444.43 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1,1-difluoro-1-(6-propylquinolin-2-yl)-3-(1,2,4-triazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1,1-difluoro-1-(6-propylquinolin-2-yl)-3-(1,2,4-triazol-4-yl)propan-2-ol
PubChem CID162567636
Molecular FormulaC23H20F4N4O
Molecular Weight444.43 g/mol
Exact Mass444.16
IUPAC Name2-(2,4-difluorophenyl)-1,1-difluoro-1-(6-propylquinolin-2-yl)-3-(1,2,4-triazol-4-yl)propan-2-ol
SMILESCCCc1ccc2nc(C(F)(F)C(O)(Cn3cnnc3)c3ccc(F)cc3F)ccc2c1
InChIInChI=1S/C23H20F4N4O/c1-2-3-15-4-8-20-16(10-15)5-9-21(30-20)23(26,27)22(32,12-31-13-28-29-14-31)18-7-6-17(24)11-19(18)25/h4-11,13-14,32H,2-3,12H2,1H3
InChIKeyHMDIANOQPYWBDK-UHFFFAOYSA-N
XLogP4.74
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.43
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1,1-difluoro-1-(6-propylquinolin-2-yl)-3-(1,2,4-triazol-4-yl)propan-2-ol?
The IUPAC name of 2-(2,4-difluorophenyl)-1,1-difluoro-1-(6-propylquinolin-2-yl)-3-(1,2,4-triazol-4-yl)propan-2-ol (CID 162567636) is 2-(2,4-difluorophenyl)-1,1-difluoro-1-(6-propylquinolin-2-yl)-3-(1,2,4-triazol-4-yl)propan-2-ol.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1,1-difluoro-1-(6-propylquinolin-2-yl)-3-(1,2,4-triazol-4-yl)propan-2-ol?
The canonical SMILES for 2-(2,4-difluorophenyl)-1,1-difluoro-1-(6-propylquinolin-2-yl)-3-(1,2,4-triazol-4-yl)propan-2-ol is CCCc1ccc2nc(C(F)(F)C(O)(Cn3cnnc3)c3ccc(F)cc3F)ccc2c1.
What is the InChIKey of 2-(2,4-difluorophenyl)-1,1-difluoro-1-(6-propylquinolin-2-yl)-3-(1,2,4-triazol-4-yl)propan-2-ol?
The InChIKey is HMDIANOQPYWBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F4N4O/c1-2-3-15-4-8-20-16(10-15)5-9-21(30-20)23(26,27)22(32,12-31-13-28-29-14-31)18-7-6-17(24)11-19(18)25/h4-11,13-14,32H,2-3,12H2,1H3.
What are the key properties of 2-(2,4-difluorophenyl)-1,1-difluoro-1-(6-propylquinolin-2-yl)-3-(1,2,4-triazol-4-yl)propan-2-ol?
2-(2,4-difluorophenyl)-1,1-difluoro-1-(6-propylquinolin-2-yl)-3-(1,2,4-triazol-4-yl)propan-2-ol has a molecular weight of 444.43 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1,1-difluoro-1-(6-propylquinolin-2-yl)-3-(1,2,4-triazol-4-yl)propan-2-ol is sourced from PubChem (CID 162567636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).