4-(3-ethyl-7,8-dimethoxypyrazolo[3,4-c]quinolin-1-yl)-3-fluorobenzonitrile

C21H17FN4O2 — CID 56592003

IUPAC4-(3-ethyl-7,8-dimethoxypyrazolo[3,4-c]quinolin-1-yl)-3-fluorobenzonitrile
SMILESCCn1nc(-c2ccc(C#N)cc2F)c2c3cc(OC)c(OC)cc3ncc21
InChIInChI=1S/C21H17FN4O2/c1-4-26-17-11-24-16-9-19(28-3)18(27-2)8-14(16)20(17)21(25-26)13-6-5-12(10-23)7-15(13)22/h5-9,11H,4H2,1-3H3
InChIKeyABANOPSXYIRGHW-UHFFFAOYSA-N
MW376.39 g/mol
LogP4.30
Rot. Bonds4

About 4-(3-ethyl-7,8-dimethoxypyrazolo[3,4-c]quinolin-1-yl)-3-fluorobenzonitrile

4-(3-ethyl-7,8-dimethoxypyrazolo[3,4-c]quinolin-1-yl)-3-fluorobenzonitrile (PubChem CID 56592003) has the molecular formula C21H17FN4O2 and a molecular weight of 376.39 g/mol. Its IUPAC name is 4-(3-ethyl-7,8-dimethoxypyrazolo[3,4-c]quinolin-1-yl)-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-(3-ethyl-7,8-dimethoxypyrazolo[3,4-c]quinolin-1-yl)-3-fluorobenzonitrile
PubChem CID56592003
Molecular FormulaC21H17FN4O2
Molecular Weight376.39 g/mol
Exact Mass376.13
IUPAC Name4-(3-ethyl-7,8-dimethoxypyrazolo[3,4-c]quinolin-1-yl)-3-fluorobenzonitrile
SMILESCCn1nc(-c2ccc(C#N)cc2F)c2c3cc(OC)c(OC)cc3ncc21
InChIInChI=1S/C21H17FN4O2/c1-4-26-17-11-24-16-9-19(28-3)18(27-2)8-14(16)20(17)21(25-26)13-6-5-12(10-23)7-15(13)22/h5-9,11H,4H2,1-3H3
InChIKeyABANOPSXYIRGHW-UHFFFAOYSA-N
XLogP4.30
TPSA72.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-7,8-dimethoxypyrazolo[3,4-c]quinolin-1-yl)-3-fluorobenzonitrile?
The IUPAC name of 4-(3-ethyl-7,8-dimethoxypyrazolo[3,4-c]quinolin-1-yl)-3-fluorobenzonitrile (CID 56592003) is 4-(3-ethyl-7,8-dimethoxypyrazolo[3,4-c]quinolin-1-yl)-3-fluorobenzonitrile.
What is the SMILES notation for 4-(3-ethyl-7,8-dimethoxypyrazolo[3,4-c]quinolin-1-yl)-3-fluorobenzonitrile?
The canonical SMILES for 4-(3-ethyl-7,8-dimethoxypyrazolo[3,4-c]quinolin-1-yl)-3-fluorobenzonitrile is CCn1nc(-c2ccc(C#N)cc2F)c2c3cc(OC)c(OC)cc3ncc21.
What is the InChIKey of 4-(3-ethyl-7,8-dimethoxypyrazolo[3,4-c]quinolin-1-yl)-3-fluorobenzonitrile?
The InChIKey is ABANOPSXYIRGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2/c1-4-26-17-11-24-16-9-19(28-3)18(27-2)8-14(16)20(17)21(25-26)13-6-5-12(10-23)7-15(13)22/h5-9,11H,4H2,1-3H3.
What are the key properties of 4-(3-ethyl-7,8-dimethoxypyrazolo[3,4-c]quinolin-1-yl)-3-fluorobenzonitrile?
4-(3-ethyl-7,8-dimethoxypyrazolo[3,4-c]quinolin-1-yl)-3-fluorobenzonitrile has a molecular weight of 376.39 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-7,8-dimethoxypyrazolo[3,4-c]quinolin-1-yl)-3-fluorobenzonitrile is sourced from PubChem (CID 56592003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).