5-methyl-4-quinolin-8-yl-1H-pyrrole-2-carboxylic acid

C15H12N2O2 — CID 122568161

IUPAC5-methyl-4-quinolin-8-yl-1H-pyrrole-2-carboxylic acid
SMILESCc1[nH]c(C(=O)O)cc1-c1cccc2cccnc12
InChIInChI=1S/C15H12N2O2/c1-9-12(8-13(17-9)15(18)19)11-6-2-4-10-5-3-7-16-14(10)11/h2-8,17H,1H3,(H,18,19)
InChIKeyTZGLKXWHEZPZTM-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.24
Rot. Bonds2

About 5-methyl-4-quinolin-8-yl-1H-pyrrole-2-carboxylic acid

5-methyl-4-quinolin-8-yl-1H-pyrrole-2-carboxylic acid (PubChem CID 122568161) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 5-methyl-4-quinolin-8-yl-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-quinolin-8-yl-1H-pyrrole-2-carboxylic acid
PubChem CID122568161
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name5-methyl-4-quinolin-8-yl-1H-pyrrole-2-carboxylic acid
SMILESCc1[nH]c(C(=O)O)cc1-c1cccc2cccnc12
InChIInChI=1S/C15H12N2O2/c1-9-12(8-13(17-9)15(18)19)11-6-2-4-10-5-3-7-16-14(10)11/h2-8,17H,1H3,(H,18,19)
InChIKeyTZGLKXWHEZPZTM-UHFFFAOYSA-N
XLogP3.24
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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acetic acid;palladium;bis(1,10-phenanthroline)
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methyl 2-quinolin-8-yl-1H-imidazole-5-carboxylate
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molecular hydrogen;1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 156715490
palladium;quinoline-8-carboxylic acid
CID 174945118
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3-(3-quinolin-8-ylphenyl)butanoic acid
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8-[2-(3-methylphenyl)phenyl]quinoline
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-quinolin-8-yl-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 5-methyl-4-quinolin-8-yl-1H-pyrrole-2-carboxylic acid (CID 122568161) is 5-methyl-4-quinolin-8-yl-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-quinolin-8-yl-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-quinolin-8-yl-1H-pyrrole-2-carboxylic acid is Cc1[nH]c(C(=O)O)cc1-c1cccc2cccnc12.
What is the InChIKey of 5-methyl-4-quinolin-8-yl-1H-pyrrole-2-carboxylic acid?
The InChIKey is TZGLKXWHEZPZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-9-12(8-13(17-9)15(18)19)11-6-2-4-10-5-3-7-16-14(10)11/h2-8,17H,1H3,(H,18,19).
What are the key properties of 5-methyl-4-quinolin-8-yl-1H-pyrrole-2-carboxylic acid?
5-methyl-4-quinolin-8-yl-1H-pyrrole-2-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-quinolin-8-yl-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 122568161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).