2-(2-tert-butyl-6-methoxyquinolin-4-yl)acetic acid

C16H19NO3 — CID 82449826

IUPAC2-(2-tert-butyl-6-methoxyquinolin-4-yl)acetic acid
SMILESCOc1ccc2nc(C(C)(C)C)cc(CC(=O)O)c2c1
InChIInChI=1S/C16H19NO3/c1-16(2,3)14-7-10(8-15(18)19)12-9-11(20-4)5-6-13(12)17-14/h5-7,9H,8H2,1-4H3,(H,18,19)
InChIKeyXHVMRLQHQUUTHQ-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.17
Rot. Bonds3

About 2-(2-tert-butyl-6-methoxyquinolin-4-yl)acetic acid

2-(2-tert-butyl-6-methoxyquinolin-4-yl)acetic acid (PubChem CID 82449826) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-(2-tert-butyl-6-methoxyquinolin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2-tert-butyl-6-methoxyquinolin-4-yl)acetic acid
PubChem CID82449826
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name2-(2-tert-butyl-6-methoxyquinolin-4-yl)acetic acid
SMILESCOc1ccc2nc(C(C)(C)C)cc(CC(=O)O)c2c1
InChIInChI=1S/C16H19NO3/c1-16(2,3)14-7-10(8-15(18)19)12-9-11(20-4)5-6-13(12)17-14/h5-7,9H,8H2,1-4H3,(H,18,19)
InChIKeyXHVMRLQHQUUTHQ-UHFFFAOYSA-N
XLogP3.17
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-6-methoxyquinolin-4-yl)acetic acid?
The IUPAC name of 2-(2-tert-butyl-6-methoxyquinolin-4-yl)acetic acid (CID 82449826) is 2-(2-tert-butyl-6-methoxyquinolin-4-yl)acetic acid.
What is the SMILES notation for 2-(2-tert-butyl-6-methoxyquinolin-4-yl)acetic acid?
The canonical SMILES for 2-(2-tert-butyl-6-methoxyquinolin-4-yl)acetic acid is COc1ccc2nc(C(C)(C)C)cc(CC(=O)O)c2c1.
What is the InChIKey of 2-(2-tert-butyl-6-methoxyquinolin-4-yl)acetic acid?
The InChIKey is XHVMRLQHQUUTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-16(2,3)14-7-10(8-15(18)19)12-9-11(20-4)5-6-13(12)17-14/h5-7,9H,8H2,1-4H3,(H,18,19).
What are the key properties of 2-(2-tert-butyl-6-methoxyquinolin-4-yl)acetic acid?
2-(2-tert-butyl-6-methoxyquinolin-4-yl)acetic acid has a molecular weight of 273.33 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-6-methoxyquinolin-4-yl)acetic acid is sourced from PubChem (CID 82449826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).