2-(4-methoxyphenyl)quinoline-8-carboxylic acid

C17H13NO3 — CID 125495985

IUPAC2-(4-methoxyphenyl)quinoline-8-carboxylic acid
SMILESCOc1ccc(-c2ccc3cccc(C(=O)O)c3n2)cc1
InChIInChI=1S/C17H13NO3/c1-21-13-8-5-11(6-9-13)15-10-7-12-3-2-4-14(17(19)20)16(12)18-15/h2-10H,1H3,(H,19,20)
InChIKeyMVGLKNNCTYAYNX-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.61
Rot. Bonds3

About 2-(4-methoxyphenyl)quinoline-8-carboxylic acid

2-(4-methoxyphenyl)quinoline-8-carboxylic acid (PubChem CID 125495985) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)quinoline-8-carboxylic acid.

Molecular Properties

Compound Name2-(4-methoxyphenyl)quinoline-8-carboxylic acid
PubChem CID125495985
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name2-(4-methoxyphenyl)quinoline-8-carboxylic acid
SMILESCOc1ccc(-c2ccc3cccc(C(=O)O)c3n2)cc1
InChIInChI=1S/C17H13NO3/c1-21-13-8-5-11(6-9-13)15-10-7-12-3-2-4-14(17(19)20)16(12)18-15/h2-10H,1H3,(H,19,20)
InChIKeyMVGLKNNCTYAYNX-UHFFFAOYSA-N
XLogP3.61
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-methoxyphenyl)pyridine-2,3-dicarboxylic acid
CID 16637669
2-[4-(trifluoromethoxy)phenyl]quinoline-8-carboxamide
CID 71375758
quinoline-2,8-dicarboxylic acid
CID 19033995
5-methoxy-2-(4-methoxyphenyl)benzoic acid
CID 2060525
5-methoxy-2-quinolin-2-ylbenzoic acid
CID 116644950
[4-[9-[3-methoxy-5-[9-(4-methoxyphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthrolin-2-yl]phenyl] dihydrogen phosphate
CID 118445441
2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methylsulfanyl]benzoic acid
CID 20983920
2-[[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonyl]amino]benzoic acid
CID 21233658
3-(4-methoxyphenyl)imidazo[1,5-a]pyridine-1,8-dicarboxylic acid
CID 117252602
sodium 6-(4-methoxyphenyl)-2-methylpyridine-3-carboxylate
CID 155928034
[(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-quinolin-8-ylmethanone
CID 125005581
(4-benzhydrylpiperazin-1-yl)-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]methanone
CID 25097957

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)quinoline-8-carboxylic acid?
The IUPAC name of 2-(4-methoxyphenyl)quinoline-8-carboxylic acid (CID 125495985) is 2-(4-methoxyphenyl)quinoline-8-carboxylic acid.
What is the SMILES notation for 2-(4-methoxyphenyl)quinoline-8-carboxylic acid?
The canonical SMILES for 2-(4-methoxyphenyl)quinoline-8-carboxylic acid is COc1ccc(-c2ccc3cccc(C(=O)O)c3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)quinoline-8-carboxylic acid?
The InChIKey is MVGLKNNCTYAYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c1-21-13-8-5-11(6-9-13)15-10-7-12-3-2-4-14(17(19)20)16(12)18-15/h2-10H,1H3,(H,19,20).
What are the key properties of 2-(4-methoxyphenyl)quinoline-8-carboxylic acid?
2-(4-methoxyphenyl)quinoline-8-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)quinoline-8-carboxylic acid is sourced from PubChem (CID 125495985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).