7-chloro-2-ethyl-5-pyridin-3-ylpyrazolo[3,4-c]quinolin-4-one

C17H13ClN4O — CID 171666122

IUPAC7-chloro-2-ethyl-5-pyridin-3-ylpyrazolo[3,4-c]quinolin-4-one
SMILESCCn1cc2c(n1)c(=O)n(-c1cccnc1)c1cc(Cl)ccc21
InChIInChI=1S/C17H13ClN4O/c1-2-21-10-14-13-6-5-11(18)8-15(13)22(17(23)16(14)20-21)12-4-3-7-19-9-12/h3-10H,2H2,1H3
InChIKeyHTOSXLRRHMIOAU-UHFFFAOYSA-N
MW324.77 g/mol
LogP3.41
Rot. Bonds2

About 7-chloro-2-ethyl-5-pyridin-3-ylpyrazolo[3,4-c]quinolin-4-one

7-chloro-2-ethyl-5-pyridin-3-ylpyrazolo[3,4-c]quinolin-4-one (PubChem CID 171666122) has the molecular formula C17H13ClN4O and a molecular weight of 324.77 g/mol. Its IUPAC name is 7-chloro-2-ethyl-5-pyridin-3-ylpyrazolo[3,4-c]quinolin-4-one.

Molecular Properties

Compound Name7-chloro-2-ethyl-5-pyridin-3-ylpyrazolo[3,4-c]quinolin-4-one
PubChem CID171666122
Molecular FormulaC17H13ClN4O
Molecular Weight324.77 g/mol
Exact Mass324.08
IUPAC Name7-chloro-2-ethyl-5-pyridin-3-ylpyrazolo[3,4-c]quinolin-4-one
SMILESCCn1cc2c(n1)c(=O)n(-c1cccnc1)c1cc(Cl)ccc21
InChIInChI=1S/C17H13ClN4O/c1-2-21-10-14-13-6-5-11(18)8-15(13)22(17(23)16(14)20-21)12-4-3-7-19-9-12/h3-10H,2H2,1H3
InChIKeyHTOSXLRRHMIOAU-UHFFFAOYSA-N
XLogP3.41
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-ethyl-5-pyridin-3-ylpyrazolo[3,4-c]quinolin-4-one?
The IUPAC name of 7-chloro-2-ethyl-5-pyridin-3-ylpyrazolo[3,4-c]quinolin-4-one (CID 171666122) is 7-chloro-2-ethyl-5-pyridin-3-ylpyrazolo[3,4-c]quinolin-4-one.
What is the SMILES notation for 7-chloro-2-ethyl-5-pyridin-3-ylpyrazolo[3,4-c]quinolin-4-one?
The canonical SMILES for 7-chloro-2-ethyl-5-pyridin-3-ylpyrazolo[3,4-c]quinolin-4-one is CCn1cc2c(n1)c(=O)n(-c1cccnc1)c1cc(Cl)ccc21.
What is the InChIKey of 7-chloro-2-ethyl-5-pyridin-3-ylpyrazolo[3,4-c]quinolin-4-one?
The InChIKey is HTOSXLRRHMIOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O/c1-2-21-10-14-13-6-5-11(18)8-15(13)22(17(23)16(14)20-21)12-4-3-7-19-9-12/h3-10H,2H2,1H3.
What are the key properties of 7-chloro-2-ethyl-5-pyridin-3-ylpyrazolo[3,4-c]quinolin-4-one?
7-chloro-2-ethyl-5-pyridin-3-ylpyrazolo[3,4-c]quinolin-4-one has a molecular weight of 324.77 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-ethyl-5-pyridin-3-ylpyrazolo[3,4-c]quinolin-4-one is sourced from PubChem (CID 171666122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).