8-(carboxymethyl)-2-phenylquinoline-4-carboxylic acid

C18H13NO4 — CID 71039932

IUPAC8-(carboxymethyl)-2-phenylquinoline-4-carboxylic acid
SMILESO=C(O)Cc1cccc2c(C(=O)O)cc(-c3ccccc3)nc12
InChIInChI=1S/C18H13NO4/c20-16(21)9-12-7-4-8-13-14(18(22)23)10-15(19-17(12)13)11-5-2-1-3-6-11/h1-8,10H,9H2,(H,20,21)(H,22,23)
InChIKeyQAHLKUTWTSWXPC-UHFFFAOYSA-N
MW307.31 g/mol
LogP3.23
Rot. Bonds4

About 8-(carboxymethyl)-2-phenylquinoline-4-carboxylic acid

8-(carboxymethyl)-2-phenylquinoline-4-carboxylic acid (PubChem CID 71039932) has the molecular formula C18H13NO4 and a molecular weight of 307.31 g/mol. Its IUPAC name is 8-(carboxymethyl)-2-phenylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name8-(carboxymethyl)-2-phenylquinoline-4-carboxylic acid
PubChem CID71039932
Molecular FormulaC18H13NO4
Molecular Weight307.31 g/mol
Exact Mass307.08
IUPAC Name8-(carboxymethyl)-2-phenylquinoline-4-carboxylic acid
SMILESO=C(O)Cc1cccc2c(C(=O)O)cc(-c3ccccc3)nc12
InChIInChI=1S/C18H13NO4/c20-16(21)9-12-7-4-8-13-14(18(22)23)10-15(19-17(12)13)11-5-2-1-3-6-11/h1-8,10H,9H2,(H,20,21)(H,22,23)
InChIKeyQAHLKUTWTSWXPC-UHFFFAOYSA-N
XLogP3.23
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-ethyl-2-(4-ethylphenyl)quinoline-4-carboxylic acid
CID 3910389
8-ethyl-2-pyridin-4-ylquinoline-4-carboxylic acid
CID 3497409
8-ethyl-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
CID 3928035
europium;2-phenylquinoline-4-carboxylic acid
CID 87730786
4-QUINOLINECARBOXYLIC ACID, 2-PHENYL-, SODIUM SALT (1:1)
CID 167996008
8-hydroxy-2-(3-hydroxyphenyl)quinoline-4-carboxylic acid
CID 91190343
8-fluoro-2-[4-(4-fluorophenyl)phenyl]quinoline-4-carboxylic acid
CID 163825423
bis(cyclopentane);bis(2-phenylquinoline-4-carboxylic acid);titanium(2+)
CID 135850214
8-ethyl-2-phenylquinolin-4-amine
CID 55045650
8-bromo-2-(4-ethylphenyl)quinoline-4-carboxylic acid
CID 4261180
N-benzyl-8-methyl-2-phenylquinoline-4-carboxamide
CID 3639002
2-phenylquinoline-4-carboxylic acid;prop-1-ene
CID 143187114

Frequently Asked Questions

What is the IUPAC name of 8-(carboxymethyl)-2-phenylquinoline-4-carboxylic acid?
The IUPAC name of 8-(carboxymethyl)-2-phenylquinoline-4-carboxylic acid (CID 71039932) is 8-(carboxymethyl)-2-phenylquinoline-4-carboxylic acid.
What is the SMILES notation for 8-(carboxymethyl)-2-phenylquinoline-4-carboxylic acid?
The canonical SMILES for 8-(carboxymethyl)-2-phenylquinoline-4-carboxylic acid is O=C(O)Cc1cccc2c(C(=O)O)cc(-c3ccccc3)nc12.
What is the InChIKey of 8-(carboxymethyl)-2-phenylquinoline-4-carboxylic acid?
The InChIKey is QAHLKUTWTSWXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO4/c20-16(21)9-12-7-4-8-13-14(18(22)23)10-15(19-17(12)13)11-5-2-1-3-6-11/h1-8,10H,9H2,(H,20,21)(H,22,23).
What are the key properties of 8-(carboxymethyl)-2-phenylquinoline-4-carboxylic acid?
8-(carboxymethyl)-2-phenylquinoline-4-carboxylic acid has a molecular weight of 307.31 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(carboxymethyl)-2-phenylquinoline-4-carboxylic acid is sourced from PubChem (CID 71039932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).