4-(4-fluoropyrazol-1-yl)-2-methylquinolin-8-ol

C13H10FN3O — CID 67130137

IUPAC4-(4-fluoropyrazol-1-yl)-2-methylquinolin-8-ol
SMILESCc1cc(-n2cc(F)cn2)c2cccc(O)c2n1
InChIInChI=1S/C13H10FN3O/c1-8-5-11(17-7-9(14)6-15-17)10-3-2-4-12(18)13(10)16-8/h2-7,18H,1H3
InChIKeyRUZLPEHPEGCNNE-UHFFFAOYSA-N
MW243.24 g/mol
LogP2.57
Rot. Bonds1

About 4-(4-fluoropyrazol-1-yl)-2-methylquinolin-8-ol

4-(4-fluoropyrazol-1-yl)-2-methylquinolin-8-ol (PubChem CID 67130137) has the molecular formula C13H10FN3O and a molecular weight of 243.24 g/mol. Its IUPAC name is 4-(4-fluoropyrazol-1-yl)-2-methylquinolin-8-ol.

Molecular Properties

Compound Name4-(4-fluoropyrazol-1-yl)-2-methylquinolin-8-ol
PubChem CID67130137
Molecular FormulaC13H10FN3O
Molecular Weight243.24 g/mol
Exact Mass243.08
IUPAC Name4-(4-fluoropyrazol-1-yl)-2-methylquinolin-8-ol
SMILESCc1cc(-n2cc(F)cn2)c2cccc(O)c2n1
InChIInChI=1S/C13H10FN3O/c1-8-5-11(17-7-9(14)6-15-17)10-3-2-4-12(18)13(10)16-8/h2-7,18H,1H3
InChIKeyRUZLPEHPEGCNNE-UHFFFAOYSA-N
XLogP2.57
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoropyrazol-1-yl)-2-methylquinolin-8-ol?
The IUPAC name of 4-(4-fluoropyrazol-1-yl)-2-methylquinolin-8-ol (CID 67130137) is 4-(4-fluoropyrazol-1-yl)-2-methylquinolin-8-ol.
What is the SMILES notation for 4-(4-fluoropyrazol-1-yl)-2-methylquinolin-8-ol?
The canonical SMILES for 4-(4-fluoropyrazol-1-yl)-2-methylquinolin-8-ol is Cc1cc(-n2cc(F)cn2)c2cccc(O)c2n1.
What is the InChIKey of 4-(4-fluoropyrazol-1-yl)-2-methylquinolin-8-ol?
The InChIKey is RUZLPEHPEGCNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O/c1-8-5-11(17-7-9(14)6-15-17)10-3-2-4-12(18)13(10)16-8/h2-7,18H,1H3.
What are the key properties of 4-(4-fluoropyrazol-1-yl)-2-methylquinolin-8-ol?
4-(4-fluoropyrazol-1-yl)-2-methylquinolin-8-ol has a molecular weight of 243.24 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoropyrazol-1-yl)-2-methylquinolin-8-ol is sourced from PubChem (CID 67130137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).