6-(1,2,2,4-tetramethylquinolin-6-yl)oxyhexanoic acid

C19H27NO3 — CID 162352185

IUPAC6-(1,2,2,4-tetramethylquinolin-6-yl)oxyhexanoic acid
SMILESCC1=CC(C)(C)N(C)c2ccc(OCCCCCC(=O)O)cc21
InChIInChI=1S/C19H27NO3/c1-14-13-19(2,3)20(4)17-10-9-15(12-16(14)17)23-11-7-5-6-8-18(21)22/h9-10,12-13H,5-8,11H2,1-4H3,(H,21,22)
InChIKeyBVLRPPSOZGIOBC-UHFFFAOYSA-N
MW317.43 g/mol
LogP4.34
Rot. Bonds7

About 6-(1,2,2,4-tetramethylquinolin-6-yl)oxyhexanoic acid

6-(1,2,2,4-tetramethylquinolin-6-yl)oxyhexanoic acid (PubChem CID 162352185) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is 6-(1,2,2,4-tetramethylquinolin-6-yl)oxyhexanoic acid.

Molecular Properties

Compound Name6-(1,2,2,4-tetramethylquinolin-6-yl)oxyhexanoic acid
PubChem CID162352185
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name6-(1,2,2,4-tetramethylquinolin-6-yl)oxyhexanoic acid
SMILESCC1=CC(C)(C)N(C)c2ccc(OCCCCCC(=O)O)cc21
InChIInChI=1S/C19H27NO3/c1-14-13-19(2,3)20(4)17-10-9-15(12-16(14)17)23-11-7-5-6-8-18(21)22/h9-10,12-13H,5-8,11H2,1-4H3,(H,21,22)
InChIKeyBVLRPPSOZGIOBC-UHFFFAOYSA-N
XLogP4.34
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(1,2,2,4-tetramethylquinolin-6-yl)oxyhexanoic acid?
The IUPAC name of 6-(1,2,2,4-tetramethylquinolin-6-yl)oxyhexanoic acid (CID 162352185) is 6-(1,2,2,4-tetramethylquinolin-6-yl)oxyhexanoic acid.
What is the SMILES notation for 6-(1,2,2,4-tetramethylquinolin-6-yl)oxyhexanoic acid?
The canonical SMILES for 6-(1,2,2,4-tetramethylquinolin-6-yl)oxyhexanoic acid is CC1=CC(C)(C)N(C)c2ccc(OCCCCCC(=O)O)cc21.
What is the InChIKey of 6-(1,2,2,4-tetramethylquinolin-6-yl)oxyhexanoic acid?
The InChIKey is BVLRPPSOZGIOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-14-13-19(2,3)20(4)17-10-9-15(12-16(14)17)23-11-7-5-6-8-18(21)22/h9-10,12-13H,5-8,11H2,1-4H3,(H,21,22).
What are the key properties of 6-(1,2,2,4-tetramethylquinolin-6-yl)oxyhexanoic acid?
6-(1,2,2,4-tetramethylquinolin-6-yl)oxyhexanoic acid has a molecular weight of 317.43 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,2,2,4-tetramethylquinolin-6-yl)oxyhexanoic acid is sourced from PubChem (CID 162352185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).