ethyl 1-(2-methoxyphenyl)-3-phenylpyrazolo[4,3-c]quinoline-8-carboxylate

C26H21N3O3 — CID 20852599

IUPACethyl 1-(2-methoxyphenyl)-3-phenylpyrazolo[4,3-c]quinoline-8-carboxylate
SMILESCCOC(=O)c1ccc2ncc3c(-c4ccccc4)nn(-c4ccccc4OC)c3c2c1
InChIInChI=1S/C26H21N3O3/c1-3-32-26(30)18-13-14-21-19(15-18)25-20(16-27-21)24(17-9-5-4-6-10-17)28-29(25)22-11-7-8-12-23(22)31-2/h4-16H,3H2,1-2H3
InChIKeyHCNIQUMHINACIJ-UHFFFAOYSA-N
MW423.47 g/mol
LogP5.43
Rot. Bonds5

About ethyl 1-(2-methoxyphenyl)-3-phenylpyrazolo[4,3-c]quinoline-8-carboxylate

ethyl 1-(2-methoxyphenyl)-3-phenylpyrazolo[4,3-c]quinoline-8-carboxylate (PubChem CID 20852599) has the molecular formula C26H21N3O3 and a molecular weight of 423.47 g/mol. Its IUPAC name is ethyl 1-(2-methoxyphenyl)-3-phenylpyrazolo[4,3-c]quinoline-8-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-methoxyphenyl)-3-phenylpyrazolo[4,3-c]quinoline-8-carboxylate
PubChem CID20852599
Molecular FormulaC26H21N3O3
Molecular Weight423.47 g/mol
Exact Mass423.16
IUPAC Nameethyl 1-(2-methoxyphenyl)-3-phenylpyrazolo[4,3-c]quinoline-8-carboxylate
SMILESCCOC(=O)c1ccc2ncc3c(-c4ccccc4)nn(-c4ccccc4OC)c3c2c1
InChIInChI=1S/C26H21N3O3/c1-3-32-26(30)18-13-14-21-19(15-18)25-20(16-27-21)24(17-9-5-4-6-10-17)28-29(25)22-11-7-8-12-23(22)31-2/h4-16H,3H2,1-2H3
InChIKeyHCNIQUMHINACIJ-UHFFFAOYSA-N
XLogP5.43
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.47
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-methoxyphenyl)-3-phenylpyrazolo[4,3-c]quinoline-8-carboxylate?
The IUPAC name of ethyl 1-(2-methoxyphenyl)-3-phenylpyrazolo[4,3-c]quinoline-8-carboxylate (CID 20852599) is ethyl 1-(2-methoxyphenyl)-3-phenylpyrazolo[4,3-c]quinoline-8-carboxylate.
What is the SMILES notation for ethyl 1-(2-methoxyphenyl)-3-phenylpyrazolo[4,3-c]quinoline-8-carboxylate?
The canonical SMILES for ethyl 1-(2-methoxyphenyl)-3-phenylpyrazolo[4,3-c]quinoline-8-carboxylate is CCOC(=O)c1ccc2ncc3c(-c4ccccc4)nn(-c4ccccc4OC)c3c2c1.
What is the InChIKey of ethyl 1-(2-methoxyphenyl)-3-phenylpyrazolo[4,3-c]quinoline-8-carboxylate?
The InChIKey is HCNIQUMHINACIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O3/c1-3-32-26(30)18-13-14-21-19(15-18)25-20(16-27-21)24(17-9-5-4-6-10-17)28-29(25)22-11-7-8-12-23(22)31-2/h4-16H,3H2,1-2H3.
What are the key properties of ethyl 1-(2-methoxyphenyl)-3-phenylpyrazolo[4,3-c]quinoline-8-carboxylate?
ethyl 1-(2-methoxyphenyl)-3-phenylpyrazolo[4,3-c]quinoline-8-carboxylate has a molecular weight of 423.47 g/mol, XLogP of 5.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-methoxyphenyl)-3-phenylpyrazolo[4,3-c]quinoline-8-carboxylate is sourced from PubChem (CID 20852599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).