ethyl 1-(4-methylphenyl)-3-phenylpyrazolo[4,3-c]quinoline-8-carboxylate

C26H21N3O2 — CID 20852512

IUPACethyl 1-(4-methylphenyl)-3-phenylpyrazolo[4,3-c]quinoline-8-carboxylate
SMILESCCOC(=O)c1ccc2ncc3c(-c4ccccc4)nn(-c4ccc(C)cc4)c3c2c1
InChIInChI=1S/C26H21N3O2/c1-3-31-26(30)19-11-14-23-21(15-19)25-22(16-27-23)24(18-7-5-4-6-8-18)28-29(25)20-12-9-17(2)10-13-20/h4-16H,3H2,1-2H3
InChIKeyPYEPAZNCNKLSCE-UHFFFAOYSA-N
MW407.47 g/mol
LogP5.73
Rot. Bonds4

About ethyl 1-(4-methylphenyl)-3-phenylpyrazolo[4,3-c]quinoline-8-carboxylate

ethyl 1-(4-methylphenyl)-3-phenylpyrazolo[4,3-c]quinoline-8-carboxylate (PubChem CID 20852512) has the molecular formula C26H21N3O2 and a molecular weight of 407.47 g/mol. Its IUPAC name is ethyl 1-(4-methylphenyl)-3-phenylpyrazolo[4,3-c]quinoline-8-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-methylphenyl)-3-phenylpyrazolo[4,3-c]quinoline-8-carboxylate
PubChem CID20852512
Molecular FormulaC26H21N3O2
Molecular Weight407.47 g/mol
Exact Mass407.16
IUPAC Nameethyl 1-(4-methylphenyl)-3-phenylpyrazolo[4,3-c]quinoline-8-carboxylate
SMILESCCOC(=O)c1ccc2ncc3c(-c4ccccc4)nn(-c4ccc(C)cc4)c3c2c1
InChIInChI=1S/C26H21N3O2/c1-3-31-26(30)19-11-14-23-21(15-19)25-22(16-27-23)24(18-7-5-4-6-8-18)28-29(25)20-12-9-17(2)10-13-20/h4-16H,3H2,1-2H3
InChIKeyPYEPAZNCNKLSCE-UHFFFAOYSA-N
XLogP5.73
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.47
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 1-(4-methylphenyl)-3-phenylpyrazolo[4,3-c]quinoline-8-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-methylphenyl)-3-phenylpyrazolo[4,3-c]quinoline-8-carboxylate?
The IUPAC name of ethyl 1-(4-methylphenyl)-3-phenylpyrazolo[4,3-c]quinoline-8-carboxylate (CID 20852512) is ethyl 1-(4-methylphenyl)-3-phenylpyrazolo[4,3-c]quinoline-8-carboxylate.
What is the SMILES notation for ethyl 1-(4-methylphenyl)-3-phenylpyrazolo[4,3-c]quinoline-8-carboxylate?
The canonical SMILES for ethyl 1-(4-methylphenyl)-3-phenylpyrazolo[4,3-c]quinoline-8-carboxylate is CCOC(=O)c1ccc2ncc3c(-c4ccccc4)nn(-c4ccc(C)cc4)c3c2c1.
What is the InChIKey of ethyl 1-(4-methylphenyl)-3-phenylpyrazolo[4,3-c]quinoline-8-carboxylate?
The InChIKey is PYEPAZNCNKLSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O2/c1-3-31-26(30)19-11-14-23-21(15-19)25-22(16-27-23)24(18-7-5-4-6-8-18)28-29(25)20-12-9-17(2)10-13-20/h4-16H,3H2,1-2H3.
What are the key properties of ethyl 1-(4-methylphenyl)-3-phenylpyrazolo[4,3-c]quinoline-8-carboxylate?
ethyl 1-(4-methylphenyl)-3-phenylpyrazolo[4,3-c]quinoline-8-carboxylate has a molecular weight of 407.47 g/mol, XLogP of 5.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-methylphenyl)-3-phenylpyrazolo[4,3-c]quinoline-8-carboxylate is sourced from PubChem (CID 20852512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).