5-benzyl-8-ethoxy-3-phenylpyrazolo[4,3-c]quinoline

C25H21N3O — CID 2135238

IUPAC5-benzyl-8-ethoxy-3-phenylpyrazolo[4,3-c]quinoline
SMILESCCOc1ccc2c(c1)c1nnc(-c3ccccc3)c-1cn2Cc1ccccc1
InChIInChI=1S/C25H21N3O/c1-2-29-20-13-14-23-21(15-20)25-22(17-28(23)16-18-9-5-3-6-10-18)24(26-27-25)19-11-7-4-8-12-19/h3-15,17H,2,16H2,1H3
InChIKeyVXEROFNKXNFNDK-UHFFFAOYSA-N
MW379.46 g/mol
LogP5.65
Rot. Bonds5

About 5-benzyl-8-ethoxy-3-phenylpyrazolo[4,3-c]quinoline

5-benzyl-8-ethoxy-3-phenylpyrazolo[4,3-c]quinoline (PubChem CID 2135238) has the molecular formula C25H21N3O and a molecular weight of 379.46 g/mol. Its IUPAC name is 5-benzyl-8-ethoxy-3-phenylpyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name5-benzyl-8-ethoxy-3-phenylpyrazolo[4,3-c]quinoline
PubChem CID2135238
Molecular FormulaC25H21N3O
Molecular Weight379.46 g/mol
Exact Mass379.17
IUPAC Name5-benzyl-8-ethoxy-3-phenylpyrazolo[4,3-c]quinoline
SMILESCCOc1ccc2c(c1)c1nnc(-c3ccccc3)c-1cn2Cc1ccccc1
InChIInChI=1S/C25H21N3O/c1-2-29-20-13-14-23-21(15-20)25-22(17-28(23)16-18-9-5-3-6-10-18)24(26-27-25)19-11-7-4-8-12-19/h3-15,17H,2,16H2,1H3
InChIKeyVXEROFNKXNFNDK-UHFFFAOYSA-N
XLogP5.65
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.46
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-8-ethoxy-3-phenylpyrazolo[4,3-c]quinoline?
The IUPAC name of 5-benzyl-8-ethoxy-3-phenylpyrazolo[4,3-c]quinoline (CID 2135238) is 5-benzyl-8-ethoxy-3-phenylpyrazolo[4,3-c]quinoline.
What is the SMILES notation for 5-benzyl-8-ethoxy-3-phenylpyrazolo[4,3-c]quinoline?
The canonical SMILES for 5-benzyl-8-ethoxy-3-phenylpyrazolo[4,3-c]quinoline is CCOc1ccc2c(c1)c1nnc(-c3ccccc3)c-1cn2Cc1ccccc1.
What is the InChIKey of 5-benzyl-8-ethoxy-3-phenylpyrazolo[4,3-c]quinoline?
The InChIKey is VXEROFNKXNFNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O/c1-2-29-20-13-14-23-21(15-20)25-22(17-28(23)16-18-9-5-3-6-10-18)24(26-27-25)19-11-7-4-8-12-19/h3-15,17H,2,16H2,1H3.
What are the key properties of 5-benzyl-8-ethoxy-3-phenylpyrazolo[4,3-c]quinoline?
5-benzyl-8-ethoxy-3-phenylpyrazolo[4,3-c]quinoline has a molecular weight of 379.46 g/mol, XLogP of 5.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-8-ethoxy-3-phenylpyrazolo[4,3-c]quinoline is sourced from PubChem (CID 2135238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).