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

C20H14BrN3O2 — CID 16643787

IUPAC6-bromo-2-(4-methylphenyl)-3-pyrazol-1-ylquinoline-4-carboxylic acid
SMILESCc1ccc(-c2nc3ccc(Br)cc3c(C(=O)O)c2-n2cccn2)cc1
InChIInChI=1S/C20H14BrN3O2/c1-12-3-5-13(6-4-12)18-19(24-10-2-9-22-24)17(20(25)26)15-11-14(21)7-8-16(15)23-18/h2-11H,1H3,(H,25,26)
InChIKeyHRIZQIVPVDWOBB-UHFFFAOYSA-N
MW408.26 g/mol
LogP4.86
Rot. Bonds3

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

6-bromo-2-(4-methylphenyl)-3-pyrazol-1-ylquinoline-4-carboxylic acid (PubChem CID 16643787) has the molecular formula C20H14BrN3O2 and a molecular weight of 408.26 g/mol. Its IUPAC name is 6-bromo-2-(4-methylphenyl)-3-pyrazol-1-ylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-bromo-2-(4-methylphenyl)-3-pyrazol-1-ylquinoline-4-carboxylic acid
PubChem CID16643787
Molecular FormulaC20H14BrN3O2
Molecular Weight408.26 g/mol
Exact Mass407.03
IUPAC Name6-bromo-2-(4-methylphenyl)-3-pyrazol-1-ylquinoline-4-carboxylic acid
SMILESCc1ccc(-c2nc3ccc(Br)cc3c(C(=O)O)c2-n2cccn2)cc1
InChIInChI=1S/C20H14BrN3O2/c1-12-3-5-13(6-4-12)18-19(24-10-2-9-22-24)17(20(25)26)15-11-14(21)7-8-16(15)23-18/h2-11H,1H3,(H,25,26)
InChIKeyHRIZQIVPVDWOBB-UHFFFAOYSA-N
XLogP4.86
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.26
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-(4-methylphenyl)-3-pyrazol-1-ylquinoline-4-carboxylic acid
CID 16643751
2-(4-methoxyphenyl)-3-pyrazol-1-ylquinoline-4-carboxylic acid
CID 16643832
6-methyl-2-(4-methylphenyl)-3-pyrrolidin-1-ylquinoline-4-carboxylic acid
CID 16643746
6-chloro-3-(3,5-dimethylpyrazol-1-yl)-2-(4-methylphenyl)quinoline-4-carboxylic acid
CID 16643779
6-bromo-3-methyl-2-[4-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
CID 159151175
6-bromo-2,3-dimethylquinoline-4-carboxylic acid
CID 43829324
6-chloro-2-(4-methylphenyl)-3-morpholin-4-ylquinoline-4-carboxylic acid
CID 16643776
6-bromo-3-ethyl-2-methylquinoline-4-carboxylic acid
CID 21061136
6-chloro-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid
CID 4712139
3-(dimethylamino)-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid
CID 16643744
tert-butyl 6-bromo-3-methyl-2-phenylquinoline-4-carboxylate
CID 122551271
6-bromo-2-(2-methoxyphenyl)-3-methylquinoline-4-carboxylic acid
CID 176682695

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(4-methylphenyl)-3-pyrazol-1-ylquinoline-4-carboxylic acid?
The IUPAC name of 6-bromo-2-(4-methylphenyl)-3-pyrazol-1-ylquinoline-4-carboxylic acid (CID 16643787) is 6-bromo-2-(4-methylphenyl)-3-pyrazol-1-ylquinoline-4-carboxylic acid.
What is the SMILES notation for 6-bromo-2-(4-methylphenyl)-3-pyrazol-1-ylquinoline-4-carboxylic acid?
The canonical SMILES for 6-bromo-2-(4-methylphenyl)-3-pyrazol-1-ylquinoline-4-carboxylic acid is Cc1ccc(-c2nc3ccc(Br)cc3c(C(=O)O)c2-n2cccn2)cc1.
What is the InChIKey of 6-bromo-2-(4-methylphenyl)-3-pyrazol-1-ylquinoline-4-carboxylic acid?
The InChIKey is HRIZQIVPVDWOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrN3O2/c1-12-3-5-13(6-4-12)18-19(24-10-2-9-22-24)17(20(25)26)15-11-14(21)7-8-16(15)23-18/h2-11H,1H3,(H,25,26).
What are the key properties of 6-bromo-2-(4-methylphenyl)-3-pyrazol-1-ylquinoline-4-carboxylic acid?
6-bromo-2-(4-methylphenyl)-3-pyrazol-1-ylquinoline-4-carboxylic acid has a molecular weight of 408.26 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(4-methylphenyl)-3-pyrazol-1-ylquinoline-4-carboxylic acid is sourced from PubChem (CID 16643787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).