6-chloro-9-ethoxy-1,3-dimethylpyrazolo[5,4-b]quinolin-4-one

C14H14ClN3O2 — CID 23647211

IUPAC6-chloro-9-ethoxy-1,3-dimethylpyrazolo[5,4-b]quinolin-4-one
SMILESCCOn1c2ccc(Cl)cc2c(=O)c2c(C)nn(C)c21
InChIInChI=1S/C14H14ClN3O2/c1-4-20-18-11-6-5-9(15)7-10(11)13(19)12-8(2)16-17(3)14(12)18/h5-7H,4H2,1-3H3
InChIKeyRBKWXIOJOZUIPX-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.30
Rot. Bonds2

About 6-chloro-9-ethoxy-1,3-dimethylpyrazolo[5,4-b]quinolin-4-one

6-chloro-9-ethoxy-1,3-dimethylpyrazolo[5,4-b]quinolin-4-one (PubChem CID 23647211) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 6-chloro-9-ethoxy-1,3-dimethylpyrazolo[5,4-b]quinolin-4-one.

Molecular Properties

Compound Name6-chloro-9-ethoxy-1,3-dimethylpyrazolo[5,4-b]quinolin-4-one
PubChem CID23647211
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name6-chloro-9-ethoxy-1,3-dimethylpyrazolo[5,4-b]quinolin-4-one
SMILESCCOn1c2ccc(Cl)cc2c(=O)c2c(C)nn(C)c21
InChIInChI=1S/C14H14ClN3O2/c1-4-20-18-11-6-5-9(15)7-10(11)13(19)12-8(2)16-17(3)14(12)18/h5-7H,4H2,1-3H3
InChIKeyRBKWXIOJOZUIPX-UHFFFAOYSA-N
XLogP2.30
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-9-ethoxy-1,3-dimethylpyrazolo[5,4-b]quinolin-4-one?
The IUPAC name of 6-chloro-9-ethoxy-1,3-dimethylpyrazolo[5,4-b]quinolin-4-one (CID 23647211) is 6-chloro-9-ethoxy-1,3-dimethylpyrazolo[5,4-b]quinolin-4-one.
What is the SMILES notation for 6-chloro-9-ethoxy-1,3-dimethylpyrazolo[5,4-b]quinolin-4-one?
The canonical SMILES for 6-chloro-9-ethoxy-1,3-dimethylpyrazolo[5,4-b]quinolin-4-one is CCOn1c2ccc(Cl)cc2c(=O)c2c(C)nn(C)c21.
What is the InChIKey of 6-chloro-9-ethoxy-1,3-dimethylpyrazolo[5,4-b]quinolin-4-one?
The InChIKey is RBKWXIOJOZUIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-4-20-18-11-6-5-9(15)7-10(11)13(19)12-8(2)16-17(3)14(12)18/h5-7H,4H2,1-3H3.
What are the key properties of 6-chloro-9-ethoxy-1,3-dimethylpyrazolo[5,4-b]quinolin-4-one?
6-chloro-9-ethoxy-1,3-dimethylpyrazolo[5,4-b]quinolin-4-one has a molecular weight of 291.74 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-9-ethoxy-1,3-dimethylpyrazolo[5,4-b]quinolin-4-one is sourced from PubChem (CID 23647211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).