2-(2-propan-2-ylquinolin-4-yl)acetic acid

C14H15NO2 — CID 82081543

IUPAC2-(2-propan-2-ylquinolin-4-yl)acetic acid
SMILESCC(C)c1cc(CC(=O)O)c2ccccc2n1
InChIInChI=1S/C14H15NO2/c1-9(2)13-7-10(8-14(16)17)11-5-3-4-6-12(11)15-13/h3-7,9H,8H2,1-2H3,(H,16,17)
InChIKeyWABOLVJZBWYEBI-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.99
Rot. Bonds3

About 2-(2-propan-2-ylquinolin-4-yl)acetic acid

2-(2-propan-2-ylquinolin-4-yl)acetic acid (PubChem CID 82081543) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(2-propan-2-ylquinolin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2-propan-2-ylquinolin-4-yl)acetic acid
PubChem CID82081543
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name2-(2-propan-2-ylquinolin-4-yl)acetic acid
SMILESCC(C)c1cc(CC(=O)O)c2ccccc2n1
InChIInChI=1S/C14H15NO2/c1-9(2)13-7-10(8-14(16)17)11-5-3-4-6-12(11)15-13/h3-7,9H,8H2,1-2H3,(H,16,17)
InChIKeyWABOLVJZBWYEBI-UHFFFAOYSA-N
XLogP2.99
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-ylquinolin-4-yl)acetic acid?
The IUPAC name of 2-(2-propan-2-ylquinolin-4-yl)acetic acid (CID 82081543) is 2-(2-propan-2-ylquinolin-4-yl)acetic acid.
What is the SMILES notation for 2-(2-propan-2-ylquinolin-4-yl)acetic acid?
The canonical SMILES for 2-(2-propan-2-ylquinolin-4-yl)acetic acid is CC(C)c1cc(CC(=O)O)c2ccccc2n1.
What is the InChIKey of 2-(2-propan-2-ylquinolin-4-yl)acetic acid?
The InChIKey is WABOLVJZBWYEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-9(2)13-7-10(8-14(16)17)11-5-3-4-6-12(11)15-13/h3-7,9H,8H2,1-2H3,(H,16,17).
What are the key properties of 2-(2-propan-2-ylquinolin-4-yl)acetic acid?
2-(2-propan-2-ylquinolin-4-yl)acetic acid has a molecular weight of 229.28 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-ylquinolin-4-yl)acetic acid is sourced from PubChem (CID 82081543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).