7-(6-methoxy-2-pyridinyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one

C18H13F3N4O2 — CID 89454022

IUPAC7-(6-methoxy-2-pyridinyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one
SMILESCOc1cccc(-c2ccc3c4[nH]ncc4c(=O)n(CC(F)(F)F)c3c2)n1
InChIInChI=1S/C18H13F3N4O2/c1-27-15-4-2-3-13(23-15)10-5-6-11-14(7-10)25(9-18(19,20)21)17(26)12-8-22-24-16(11)12/h2-8H,9H2,1H3,(H,22,24)
InChIKeyJTBSOTWWMFCBLG-UHFFFAOYSA-N
MW374.32 g/mol
LogP3.51
Rot. Bonds3

About 7-(6-methoxy-2-pyridinyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one

7-(6-methoxy-2-pyridinyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one (PubChem CID 89454022) has the molecular formula C18H13F3N4O2 and a molecular weight of 374.32 g/mol. Its IUPAC name is 7-(6-methoxy-2-pyridinyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name7-(6-methoxy-2-pyridinyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one
PubChem CID89454022
Molecular FormulaC18H13F3N4O2
Molecular Weight374.32 g/mol
Exact Mass374.10
IUPAC Name7-(6-methoxy-2-pyridinyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one
SMILESCOc1cccc(-c2ccc3c4[nH]ncc4c(=O)n(CC(F)(F)F)c3c2)n1
InChIInChI=1S/C18H13F3N4O2/c1-27-15-4-2-3-13(23-15)10-5-6-11-14(7-10)25(9-18(19,20)21)17(26)12-8-22-24-16(11)12/h2-8H,9H2,1H3,(H,22,24)
InChIKeyJTBSOTWWMFCBLG-UHFFFAOYSA-N
XLogP3.51
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.32
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(6-methoxy-2-pyridinyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one?
The IUPAC name of 7-(6-methoxy-2-pyridinyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one (CID 89454022) is 7-(6-methoxy-2-pyridinyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 7-(6-methoxy-2-pyridinyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 7-(6-methoxy-2-pyridinyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one is COc1cccc(-c2ccc3c4[nH]ncc4c(=O)n(CC(F)(F)F)c3c2)n1.
What is the InChIKey of 7-(6-methoxy-2-pyridinyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one?
The InChIKey is JTBSOTWWMFCBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O2/c1-27-15-4-2-3-13(23-15)10-5-6-11-14(7-10)25(9-18(19,20)21)17(26)12-8-22-24-16(11)12/h2-8H,9H2,1H3,(H,22,24).
What are the key properties of 7-(6-methoxy-2-pyridinyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one?
7-(6-methoxy-2-pyridinyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one has a molecular weight of 374.32 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-methoxy-2-pyridinyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 89454022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).