2-(4-methoxyphenyl)-3-pyrazol-1-ylquinoline-4-carboxylic acid

C20H15N3O3 — CID 16643832

IUPAC2-(4-methoxyphenyl)-3-pyrazol-1-ylquinoline-4-carboxylic acid
SMILESCOc1ccc(-c2nc3ccccc3c(C(=O)O)c2-n2cccn2)cc1
InChIInChI=1S/C20H15N3O3/c1-26-14-9-7-13(8-10-14)18-19(23-12-4-11-21-23)17(20(24)25)15-5-2-3-6-16(15)22-18/h2-12H,1H3,(H,24,25)
InChIKeyNCESDEVJVTTYRN-UHFFFAOYSA-N
MW345.36 g/mol
LogP3.79
Rot. Bonds4

About 2-(4-methoxyphenyl)-3-pyrazol-1-ylquinoline-4-carboxylic acid

2-(4-methoxyphenyl)-3-pyrazol-1-ylquinoline-4-carboxylic acid (PubChem CID 16643832) has the molecular formula C20H15N3O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-pyrazol-1-ylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-pyrazol-1-ylquinoline-4-carboxylic acid
PubChem CID16643832
Molecular FormulaC20H15N3O3
Molecular Weight345.36 g/mol
Exact Mass345.11
IUPAC Name2-(4-methoxyphenyl)-3-pyrazol-1-ylquinoline-4-carboxylic acid
SMILESCOc1ccc(-c2nc3ccccc3c(C(=O)O)c2-n2cccn2)cc1
InChIInChI=1S/C20H15N3O3/c1-26-14-9-7-13(8-10-14)18-19(23-12-4-11-21-23)17(20(24)25)15-5-2-3-6-16(15)22-18/h2-12H,1H3,(H,24,25)
InChIKeyNCESDEVJVTTYRN-UHFFFAOYSA-N
XLogP3.79
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-pyrazol-1-ylquinoline-4-carboxylic acid?
The IUPAC name of 2-(4-methoxyphenyl)-3-pyrazol-1-ylquinoline-4-carboxylic acid (CID 16643832) is 2-(4-methoxyphenyl)-3-pyrazol-1-ylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-pyrazol-1-ylquinoline-4-carboxylic acid?
The canonical SMILES for 2-(4-methoxyphenyl)-3-pyrazol-1-ylquinoline-4-carboxylic acid is COc1ccc(-c2nc3ccccc3c(C(=O)O)c2-n2cccn2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-pyrazol-1-ylquinoline-4-carboxylic acid?
The InChIKey is NCESDEVJVTTYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3/c1-26-14-9-7-13(8-10-14)18-19(23-12-4-11-21-23)17(20(24)25)15-5-2-3-6-16(15)22-18/h2-12H,1H3,(H,24,25).
What are the key properties of 2-(4-methoxyphenyl)-3-pyrazol-1-ylquinoline-4-carboxylic acid?
2-(4-methoxyphenyl)-3-pyrazol-1-ylquinoline-4-carboxylic acid has a molecular weight of 345.36 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-pyrazol-1-ylquinoline-4-carboxylic acid is sourced from PubChem (CID 16643832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).