2-(2-methylquinolin-4-yl)oxybenzoic acid

C17H13NO3 — CID 61395430

IUPAC2-(2-methylquinolin-4-yl)oxybenzoic acid
SMILESCc1cc(Oc2ccccc2C(=O)O)c2ccccc2n1
InChIInChI=1S/C17H13NO3/c1-11-10-16(12-6-2-4-8-14(12)18-11)21-15-9-5-3-7-13(15)17(19)20/h2-10H,1H3,(H,19,20)
InChIKeyAXSUGZPDPJXXKP-UHFFFAOYSA-N
MW279.30 g/mol
LogP4.03
Rot. Bonds3

About 2-(2-methylquinolin-4-yl)oxybenzoic acid

2-(2-methylquinolin-4-yl)oxybenzoic acid (PubChem CID 61395430) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-(2-methylquinolin-4-yl)oxybenzoic acid.

Molecular Properties

Compound Name2-(2-methylquinolin-4-yl)oxybenzoic acid
PubChem CID61395430
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name2-(2-methylquinolin-4-yl)oxybenzoic acid
SMILESCc1cc(Oc2ccccc2C(=O)O)c2ccccc2n1
InChIInChI=1S/C17H13NO3/c1-11-10-16(12-6-2-4-8-14(12)18-11)21-15-9-5-3-7-13(15)17(19)20/h2-10H,1H3,(H,19,20)
InChIKeyAXSUGZPDPJXXKP-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-methylquinolin-4-yl)oxyacetic acid
CID 658584
4-fluoro-2-(2-methylquinolin-4-yl)oxyaniline
CID 43525450
2-quinazolin-4-yloxybenzoic acid
CID 61395473
2-(2-carboxyphenoxy)benzoic acid;ethene
CID 67642848
3-(2-methylquinolin-4-yl)oxyphenol
CID 60871458
2-[2,3-bis(2-carboxyphenoxy)phenoxy]benzoic acid
CID 68804426
2-(2-hydroxy-5-methylphenoxy)benzoic acid
CID 14221471
4-(2-methylquinolin-4-yl)-1H-pyrrole-3-carboxylic acid
CID 79235289
[3-(2-methylquinolin-4-yl)oxyphenyl]methanol
CID 79869243
2-[4-(2-methylquinolin-4-yl)oxyphenyl]ethanol
CID 107709613
2-(2-methylquinolin-4-yl)acetic acid
CID 79019861
2-(2-methoxycarbonylphenoxy)benzoic acid
CID 166513979

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylquinolin-4-yl)oxybenzoic acid?
The IUPAC name of 2-(2-methylquinolin-4-yl)oxybenzoic acid (CID 61395430) is 2-(2-methylquinolin-4-yl)oxybenzoic acid.
What is the SMILES notation for 2-(2-methylquinolin-4-yl)oxybenzoic acid?
The canonical SMILES for 2-(2-methylquinolin-4-yl)oxybenzoic acid is Cc1cc(Oc2ccccc2C(=O)O)c2ccccc2n1.
What is the InChIKey of 2-(2-methylquinolin-4-yl)oxybenzoic acid?
The InChIKey is AXSUGZPDPJXXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c1-11-10-16(12-6-2-4-8-14(12)18-11)21-15-9-5-3-7-13(15)17(19)20/h2-10H,1H3,(H,19,20).
What are the key properties of 2-(2-methylquinolin-4-yl)oxybenzoic acid?
2-(2-methylquinolin-4-yl)oxybenzoic 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-(2-methylquinolin-4-yl)oxybenzoic acid is sourced from PubChem (CID 61395430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).