2-[2-[(2-methylquinolin-8-yl)oxymethyl]phenoxy]acetic acid

C19H17NO4 — CID 70683656

IUPAC2-[2-[(2-methylquinolin-8-yl)oxymethyl]phenoxy]acetic acid
SMILESCc1ccc2cccc(OCc3ccccc3OCC(=O)O)c2n1
InChIInChI=1S/C19H17NO4/c1-13-9-10-14-6-4-8-17(19(14)20-13)23-11-15-5-2-3-7-16(15)24-12-18(21)22/h2-10H,11-12H2,1H3,(H,21,22)
InChIKeyOQQCAHDDKREIPU-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.59
Rot. Bonds6

About 2-[2-[(2-methylquinolin-8-yl)oxymethyl]phenoxy]acetic acid

2-[2-[(2-methylquinolin-8-yl)oxymethyl]phenoxy]acetic acid (PubChem CID 70683656) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-[2-[(2-methylquinolin-8-yl)oxymethyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-methylquinolin-8-yl)oxymethyl]phenoxy]acetic acid
PubChem CID70683656
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name2-[2-[(2-methylquinolin-8-yl)oxymethyl]phenoxy]acetic acid
SMILESCc1ccc2cccc(OCc3ccccc3OCC(=O)O)c2n1
InChIInChI=1S/C19H17NO4/c1-13-9-10-14-6-4-8-17(19(14)20-13)23-11-15-5-2-3-7-16(15)24-12-18(21)22/h2-10H,11-12H2,1H3,(H,21,22)
InChIKeyOQQCAHDDKREIPU-UHFFFAOYSA-N
XLogP3.59
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methylquinolin-8-yl)oxymethyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-[(2-methylquinolin-8-yl)oxymethyl]phenoxy]acetic acid (CID 70683656) is 2-[2-[(2-methylquinolin-8-yl)oxymethyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[(2-methylquinolin-8-yl)oxymethyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[(2-methylquinolin-8-yl)oxymethyl]phenoxy]acetic acid is Cc1ccc2cccc(OCc3ccccc3OCC(=O)O)c2n1.
What is the InChIKey of 2-[2-[(2-methylquinolin-8-yl)oxymethyl]phenoxy]acetic acid?
The InChIKey is OQQCAHDDKREIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-13-9-10-14-6-4-8-17(19(14)20-13)23-11-15-5-2-3-7-16(15)24-12-18(21)22/h2-10H,11-12H2,1H3,(H,21,22).
What are the key properties of 2-[2-[(2-methylquinolin-8-yl)oxymethyl]phenoxy]acetic acid?
2-[2-[(2-methylquinolin-8-yl)oxymethyl]phenoxy]acetic acid has a molecular weight of 323.35 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methylquinolin-8-yl)oxymethyl]phenoxy]acetic acid is sourced from PubChem (CID 70683656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).