3-(carboxymethyl)-6-methyl-2-phenylquinoline-4-carboxylic acid

C19H15NO4 — CID 712888

IUPAC3-(carboxymethyl)-6-methyl-2-phenylquinoline-4-carboxylic acid
SMILESCc1ccc2nc(-c3ccccc3)c(CC(=O)O)c(C(=O)O)c2c1
InChIInChI=1S/C19H15NO4/c1-11-7-8-15-13(9-11)17(19(23)24)14(10-16(21)22)18(20-15)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,21,22)(H,23,24)
InChIKeyVVUSATDXAXUWBR-UHFFFAOYSA-N
MW321.33 g/mol
LogP3.54
Rot. Bonds4

About 3-(carboxymethyl)-6-methyl-2-phenylquinoline-4-carboxylic acid

3-(carboxymethyl)-6-methyl-2-phenylquinoline-4-carboxylic acid (PubChem CID 712888) has the molecular formula C19H15NO4 and a molecular weight of 321.33 g/mol. Its IUPAC name is 3-(carboxymethyl)-6-methyl-2-phenylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name3-(carboxymethyl)-6-methyl-2-phenylquinoline-4-carboxylic acid
PubChem CID712888
Molecular FormulaC19H15NO4
Molecular Weight321.33 g/mol
Exact Mass321.10
IUPAC Name3-(carboxymethyl)-6-methyl-2-phenylquinoline-4-carboxylic acid
SMILESCc1ccc2nc(-c3ccccc3)c(CC(=O)O)c(C(=O)O)c2c1
InChIInChI=1S/C19H15NO4/c1-11-7-8-15-13(9-11)17(19(23)24)14(10-16(21)22)18(20-15)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,21,22)(H,23,24)
InChIKeyVVUSATDXAXUWBR-UHFFFAOYSA-N
XLogP3.54
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(carboxymethyl)-6-methyl-2-phenylquinoline-4-carboxylic acid?
The IUPAC name of 3-(carboxymethyl)-6-methyl-2-phenylquinoline-4-carboxylic acid (CID 712888) is 3-(carboxymethyl)-6-methyl-2-phenylquinoline-4-carboxylic acid.
What is the SMILES notation for 3-(carboxymethyl)-6-methyl-2-phenylquinoline-4-carboxylic acid?
The canonical SMILES for 3-(carboxymethyl)-6-methyl-2-phenylquinoline-4-carboxylic acid is Cc1ccc2nc(-c3ccccc3)c(CC(=O)O)c(C(=O)O)c2c1.
What is the InChIKey of 3-(carboxymethyl)-6-methyl-2-phenylquinoline-4-carboxylic acid?
The InChIKey is VVUSATDXAXUWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4/c1-11-7-8-15-13(9-11)17(19(23)24)14(10-16(21)22)18(20-15)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 3-(carboxymethyl)-6-methyl-2-phenylquinoline-4-carboxylic acid?
3-(carboxymethyl)-6-methyl-2-phenylquinoline-4-carboxylic acid has a molecular weight of 321.33 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carboxymethyl)-6-methyl-2-phenylquinoline-4-carboxylic acid is sourced from PubChem (CID 712888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).