6-methyl-2-(4-methylphenyl)-3-pyrazol-1-ylquinoline-4-carboxylic acid

C21H17N3O2 — CID 16643751

IUPAC6-methyl-2-(4-methylphenyl)-3-pyrazol-1-ylquinoline-4-carboxylic acid
SMILESCc1ccc(-c2nc3ccc(C)cc3c(C(=O)O)c2-n2cccn2)cc1
InChIInChI=1S/C21H17N3O2/c1-13-4-7-15(8-5-13)19-20(24-11-3-10-22-24)18(21(25)26)16-12-14(2)6-9-17(16)23-19/h3-12H,1-2H3,(H,25,26)
InChIKeyQRJQBVLOTKOIIP-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.40
Rot. Bonds3

About 6-methyl-2-(4-methylphenyl)-3-pyrazol-1-ylquinoline-4-carboxylic acid

6-methyl-2-(4-methylphenyl)-3-pyrazol-1-ylquinoline-4-carboxylic acid (PubChem CID 16643751) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 6-methyl-2-(4-methylphenyl)-3-pyrazol-1-ylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-(4-methylphenyl)-3-pyrazol-1-ylquinoline-4-carboxylic acid
PubChem CID16643751
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name6-methyl-2-(4-methylphenyl)-3-pyrazol-1-ylquinoline-4-carboxylic acid
SMILESCc1ccc(-c2nc3ccc(C)cc3c(C(=O)O)c2-n2cccn2)cc1
InChIInChI=1S/C21H17N3O2/c1-13-4-7-15(8-5-13)19-20(24-11-3-10-22-24)18(21(25)26)16-12-14(2)6-9-17(16)23-19/h3-12H,1-2H3,(H,25,26)
InChIKeyQRJQBVLOTKOIIP-UHFFFAOYSA-N
XLogP4.40
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-methylphenyl)-3-pyrazol-1-ylquinoline-4-carboxylic acid?
The IUPAC name of 6-methyl-2-(4-methylphenyl)-3-pyrazol-1-ylquinoline-4-carboxylic acid (CID 16643751) is 6-methyl-2-(4-methylphenyl)-3-pyrazol-1-ylquinoline-4-carboxylic acid.
What is the SMILES notation for 6-methyl-2-(4-methylphenyl)-3-pyrazol-1-ylquinoline-4-carboxylic acid?
The canonical SMILES for 6-methyl-2-(4-methylphenyl)-3-pyrazol-1-ylquinoline-4-carboxylic acid is Cc1ccc(-c2nc3ccc(C)cc3c(C(=O)O)c2-n2cccn2)cc1.
What is the InChIKey of 6-methyl-2-(4-methylphenyl)-3-pyrazol-1-ylquinoline-4-carboxylic acid?
The InChIKey is QRJQBVLOTKOIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-13-4-7-15(8-5-13)19-20(24-11-3-10-22-24)18(21(25)26)16-12-14(2)6-9-17(16)23-19/h3-12H,1-2H3,(H,25,26).
What are the key properties of 6-methyl-2-(4-methylphenyl)-3-pyrazol-1-ylquinoline-4-carboxylic acid?
6-methyl-2-(4-methylphenyl)-3-pyrazol-1-ylquinoline-4-carboxylic acid has a molecular weight of 343.39 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-methylphenyl)-3-pyrazol-1-ylquinoline-4-carboxylic acid is sourced from PubChem (CID 16643751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).