2-(4-methoxy-2,6-dimethylquinolin-8-yl)acetic acid

C14H15NO3 — CID 82575003

IUPAC2-(4-methoxy-2,6-dimethylquinolin-8-yl)acetic acid
SMILESCOc1cc(C)nc2c(CC(=O)O)cc(C)cc12
InChIInChI=1S/C14H15NO3/c1-8-4-10(7-13(16)17)14-11(5-8)12(18-3)6-9(2)15-14/h4-6H,7H2,1-3H3,(H,16,17)
InChIKeyUINJBPQJJYKQEC-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.49
Rot. Bonds3

About 2-(4-methoxy-2,6-dimethylquinolin-8-yl)acetic acid

2-(4-methoxy-2,6-dimethylquinolin-8-yl)acetic acid (PubChem CID 82575003) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(4-methoxy-2,6-dimethylquinolin-8-yl)acetic acid.

Molecular Properties

Compound Name2-(4-methoxy-2,6-dimethylquinolin-8-yl)acetic acid
PubChem CID82575003
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name2-(4-methoxy-2,6-dimethylquinolin-8-yl)acetic acid
SMILESCOc1cc(C)nc2c(CC(=O)O)cc(C)cc12
InChIInChI=1S/C14H15NO3/c1-8-4-10(7-13(16)17)14-11(5-8)12(18-3)6-9(2)15-14/h4-6H,7H2,1-3H3,(H,16,17)
InChIKeyUINJBPQJJYKQEC-UHFFFAOYSA-N
XLogP2.49
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-2,6-dimethylquinolin-8-yl)acetic acid
CID 82574993
2-(6-fluoro-4-methoxy-2-methylquinolin-8-yl)acetamide
CID 82575448
2-(3-methoxy-2,5-dimethylphenyl)acetic acid
CID 118998759
3-(4-chloro-2,6-dimethylquinolin-8-yl)propanoic acid
CID 82578036
2-(carboxymethyl)-6-methoxy-4-methylbenzoic acid
CID 13308736
3-(4-methoxy-2-methylquinolin-8-yl)propanamide
CID 82578489
1-(8-fluoro-4-methoxy-2-methylquinolin-6-yl)ethanone
CID 82576288
2-(4,6-dimethyl-2-pyridinyl)acetic acid
CID 23339817
2-(6,7-dimethoxy-2-methylquinolin-4-yl)oxyacetic acid
CID 53264216
2-(2,3-dimethoxy-6-methylphenanthren-9-yl)acetic acid
CID 175191408
2-(3,4-dimethoxy-5-methylphenyl)acetic acid
CID 70527445
4-methoxy-2-methylquinolin-8-ol
CID 18321891

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2,6-dimethylquinolin-8-yl)acetic acid?
The IUPAC name of 2-(4-methoxy-2,6-dimethylquinolin-8-yl)acetic acid (CID 82575003) is 2-(4-methoxy-2,6-dimethylquinolin-8-yl)acetic acid.
What is the SMILES notation for 2-(4-methoxy-2,6-dimethylquinolin-8-yl)acetic acid?
The canonical SMILES for 2-(4-methoxy-2,6-dimethylquinolin-8-yl)acetic acid is COc1cc(C)nc2c(CC(=O)O)cc(C)cc12.
What is the InChIKey of 2-(4-methoxy-2,6-dimethylquinolin-8-yl)acetic acid?
The InChIKey is UINJBPQJJYKQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-8-4-10(7-13(16)17)14-11(5-8)12(18-3)6-9(2)15-14/h4-6H,7H2,1-3H3,(H,16,17).
What are the key properties of 2-(4-methoxy-2,6-dimethylquinolin-8-yl)acetic acid?
2-(4-methoxy-2,6-dimethylquinolin-8-yl)acetic acid has a molecular weight of 245.28 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2,6-dimethylquinolin-8-yl)acetic acid is sourced from PubChem (CID 82575003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).