2-[4-(6,7-dimethylquinolin-4-yl)oxyphenyl]acetic acid

C19H17NO3 — CID 71122818

IUPAC2-[4-(6,7-dimethylquinolin-4-yl)oxyphenyl]acetic acid
SMILESCc1cc2nccc(Oc3ccc(CC(=O)O)cc3)c2cc1C
InChIInChI=1S/C19H17NO3/c1-12-9-16-17(10-13(12)2)20-8-7-18(16)23-15-5-3-14(4-6-15)11-19(21)22/h3-10H,11H2,1-2H3,(H,21,22)
InChIKeyXILQZIUOBHEEKK-UHFFFAOYSA-N
MW307.35 g/mol
LogP4.27
Rot. Bonds4

About 2-[4-(6,7-dimethylquinolin-4-yl)oxyphenyl]acetic acid

2-[4-(6,7-dimethylquinolin-4-yl)oxyphenyl]acetic acid (PubChem CID 71122818) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-[4-(6,7-dimethylquinolin-4-yl)oxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(6,7-dimethylquinolin-4-yl)oxyphenyl]acetic acid
PubChem CID71122818
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name2-[4-(6,7-dimethylquinolin-4-yl)oxyphenyl]acetic acid
SMILESCc1cc2nccc(Oc3ccc(CC(=O)O)cc3)c2cc1C
InChIInChI=1S/C19H17NO3/c1-12-9-16-17(10-13(12)2)20-8-7-18(16)23-15-5-3-14(4-6-15)11-19(21)22/h3-10H,11H2,1-2H3,(H,21,22)
InChIKeyXILQZIUOBHEEKK-UHFFFAOYSA-N
XLogP4.27
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(7-methoxyquinolin-4-yl)oxyphenyl]acetic acid
CID 18456647
2-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxyphenyl]acetic acid
CID 67304323
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-5-(4-methylphenyl)pentane-2,4-dione
CID 58249515
1-cyclopropyl-3-[4-(7-methyl-6-propanoylquinolin-4-yl)oxyphenyl]propan-2-one
CID 58272886
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-5-(3-methyl-2-pyridinyl)pentane-2,4-dione
CID 58249565
4-(6,7-dimethoxyquinolin-4-yl)oxybenzoic acid
CID 22132796
2-[4-[(2-methyl-3-pyridinyl)oxy]phenyl]acetic acid
CID 71246278
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
CID 22936459
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-5-(3-hydroxyphenyl)pentane-2,4-dione
CID 58249480
2-(3,4-dimethoxyphenyl)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetamide
CID 152648895
5-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methylphenyl]-1-phenyl-4-sulfanylidenepentan-2-one
CID 58249507
1-(3-chlorophenyl)-5-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]pentane-2,4-dione
CID 58249375

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6,7-dimethylquinolin-4-yl)oxyphenyl]acetic acid?
The IUPAC name of 2-[4-(6,7-dimethylquinolin-4-yl)oxyphenyl]acetic acid (CID 71122818) is 2-[4-(6,7-dimethylquinolin-4-yl)oxyphenyl]acetic acid.
What is the SMILES notation for 2-[4-(6,7-dimethylquinolin-4-yl)oxyphenyl]acetic acid?
The canonical SMILES for 2-[4-(6,7-dimethylquinolin-4-yl)oxyphenyl]acetic acid is Cc1cc2nccc(Oc3ccc(CC(=O)O)cc3)c2cc1C.
What is the InChIKey of 2-[4-(6,7-dimethylquinolin-4-yl)oxyphenyl]acetic acid?
The InChIKey is XILQZIUOBHEEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-12-9-16-17(10-13(12)2)20-8-7-18(16)23-15-5-3-14(4-6-15)11-19(21)22/h3-10H,11H2,1-2H3,(H,21,22).
What are the key properties of 2-[4-(6,7-dimethylquinolin-4-yl)oxyphenyl]acetic acid?
2-[4-(6,7-dimethylquinolin-4-yl)oxyphenyl]acetic acid has a molecular weight of 307.35 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6,7-dimethylquinolin-4-yl)oxyphenyl]acetic acid is sourced from PubChem (CID 71122818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).