2-(3-methylphenoxy)quinoline-3-carboxylic acid

C17H13NO3 — CID 28952515

IUPAC2-(3-methylphenoxy)quinoline-3-carboxylic acid
SMILESCc1cccc(Oc2nc3ccccc3cc2C(=O)O)c1
InChIInChI=1S/C17H13NO3/c1-11-5-4-7-13(9-11)21-16-14(17(19)20)10-12-6-2-3-8-15(12)18-16/h2-10H,1H3,(H,19,20)
InChIKeyCXKLHBATVBZRAA-UHFFFAOYSA-N
MW279.30 g/mol
LogP4.03
Rot. Bonds3

About 2-(3-methylphenoxy)quinoline-3-carboxylic acid

2-(3-methylphenoxy)quinoline-3-carboxylic acid (PubChem CID 28952515) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-(3-methylphenoxy)quinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-methylphenoxy)quinoline-3-carboxylic acid
PubChem CID28952515
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name2-(3-methylphenoxy)quinoline-3-carboxylic acid
SMILESCc1cccc(Oc2nc3ccccc3cc2C(=O)O)c1
InChIInChI=1S/C17H13NO3/c1-11-5-4-7-13(9-11)21-16-14(17(19)20)10-12-6-2-3-8-15(12)18-16/h2-10H,1H3,(H,19,20)
InChIKeyCXKLHBATVBZRAA-UHFFFAOYSA-N
XLogP4.03
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 ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(dimethylamino)-2-methylpropoxy]quinoline-3-carboxylic acid
CID 79670055
3-fluoro-2-(3-methylphenoxy)benzoic acid
CID 55101471
3-amino-2-(3-methylphenoxy)benzoic acid
CID 112579601
6-(3-methylphenoxy)-5-nitropyridine-2-carboxylic acid
CID 114403138
4-bromo-2-(3-methylphenoxy)benzoic acid
CID 43364853
5-amino-2-(3-methylphenoxy)benzoic acid
CID 54887826
4-fluoro-2-(3-methylphenoxy)benzoic acid
CID 22408591
1-methyl-3-phenoxybenzene;hydrochloride
CID 175116002
3-phenoxyquinoxaline-2-carboxylic acid
CID 13004258
2-(3-ethoxyphenoxy)-6-methylpyridine-3-carboxylic acid
CID 62702428
N-[(E)-4-methylsulfonylbut-3-en-2-yl]-2-phenoxyquinoline-3-carboxamide
CID 174200842
5-methyl-2-quinazolin-2-yloxybenzoic acid
CID 114789657

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)quinoline-3-carboxylic acid?
The IUPAC name of 2-(3-methylphenoxy)quinoline-3-carboxylic acid (CID 28952515) is 2-(3-methylphenoxy)quinoline-3-carboxylic acid.
What is the SMILES notation for 2-(3-methylphenoxy)quinoline-3-carboxylic acid?
The canonical SMILES for 2-(3-methylphenoxy)quinoline-3-carboxylic acid is Cc1cccc(Oc2nc3ccccc3cc2C(=O)O)c1.
What is the InChIKey of 2-(3-methylphenoxy)quinoline-3-carboxylic acid?
The InChIKey is CXKLHBATVBZRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c1-11-5-4-7-13(9-11)21-16-14(17(19)20)10-12-6-2-3-8-15(12)18-16/h2-10H,1H3,(H,19,20).
What are the key properties of 2-(3-methylphenoxy)quinoline-3-carboxylic acid?
2-(3-methylphenoxy)quinoline-3-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)quinoline-3-carboxylic acid is sourced from PubChem (CID 28952515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).