3-[3,5-dichloro-4-(2,4-dimethylquinolin-6-yl)oxyphenyl]propanoic acid

C20H17Cl2NO3 — CID 68528032

IUPAC3-[3,5-dichloro-4-(2,4-dimethylquinolin-6-yl)oxyphenyl]propanoic acid
SMILESCc1cc(C)c2cc(Oc3c(Cl)cc(CCC(=O)O)cc3Cl)ccc2n1
InChIInChI=1S/C20H17Cl2NO3/c1-11-7-12(2)23-18-5-4-14(10-15(11)18)26-20-16(21)8-13(9-17(20)22)3-6-19(24)25/h4-5,7-10H,3,6H2,1-2H3,(H,24,25)
InChIKeyMZFQPMIKCFLMNF-UHFFFAOYSA-N
MW390.27 g/mol
LogP5.97
Rot. Bonds5

About 3-[3,5-dichloro-4-(2,4-dimethylquinolin-6-yl)oxyphenyl]propanoic acid

3-[3,5-dichloro-4-(2,4-dimethylquinolin-6-yl)oxyphenyl]propanoic acid (PubChem CID 68528032) has the molecular formula C20H17Cl2NO3 and a molecular weight of 390.27 g/mol. Its IUPAC name is 3-[3,5-dichloro-4-(2,4-dimethylquinolin-6-yl)oxyphenyl]propanoic acid.

Molecular Properties

Compound Name3-[3,5-dichloro-4-(2,4-dimethylquinolin-6-yl)oxyphenyl]propanoic acid
PubChem CID68528032
Molecular FormulaC20H17Cl2NO3
Molecular Weight390.27 g/mol
Exact Mass389.06
IUPAC Name3-[3,5-dichloro-4-(2,4-dimethylquinolin-6-yl)oxyphenyl]propanoic acid
SMILESCc1cc(C)c2cc(Oc3c(Cl)cc(CCC(=O)O)cc3Cl)ccc2n1
InChIInChI=1S/C20H17Cl2NO3/c1-11-7-12(2)23-18-5-4-14(10-15(11)18)26-20-16(21)8-13(9-17(20)22)3-6-19(24)25/h4-5,7-10H,3,6H2,1-2H3,(H,24,25)
InChIKeyMZFQPMIKCFLMNF-UHFFFAOYSA-N
XLogP5.97
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.27
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chloro-2,8-dimethylquinolin-6-yl)propanoic acid
CID 82578034
3-(4-chloro-2-methylquinolin-7-yl)propanoic acid
CID 82578031
3-(2,4-dimethylquinolin-7-yl)propanoic acid
CID 82577927
2-(2,4-dimethylquinolin-6-yl)oxyacetic acid
CID 82580332
4-chloro-2-methyl-6-(4-methylphenoxy)quinoline
CID 43668795
6-(4-carboxy-2-methylquinolin-6-yl)oxy-2-methylquinoline-4-carboxylic acid
CID 4639551
ethane;6-methoxy-2,4-dimethylquinoline
CID 143681558
4-chloro-2-methyl-6-propan-2-yloxyquinoline
CID 22693554
3,5-dibromo-4-(4-methyl-2-propylquinolin-6-yl)oxybenzoic acid
CID 68525313
3-(4-chloro-2,6-dimethylquinolin-8-yl)propanoic acid
CID 82578036
3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propanoic acid
CID 82051730
3-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]propanoic acid
CID 126645092

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dichloro-4-(2,4-dimethylquinolin-6-yl)oxyphenyl]propanoic acid?
The IUPAC name of 3-[3,5-dichloro-4-(2,4-dimethylquinolin-6-yl)oxyphenyl]propanoic acid (CID 68528032) is 3-[3,5-dichloro-4-(2,4-dimethylquinolin-6-yl)oxyphenyl]propanoic acid.
What is the SMILES notation for 3-[3,5-dichloro-4-(2,4-dimethylquinolin-6-yl)oxyphenyl]propanoic acid?
The canonical SMILES for 3-[3,5-dichloro-4-(2,4-dimethylquinolin-6-yl)oxyphenyl]propanoic acid is Cc1cc(C)c2cc(Oc3c(Cl)cc(CCC(=O)O)cc3Cl)ccc2n1.
What is the InChIKey of 3-[3,5-dichloro-4-(2,4-dimethylquinolin-6-yl)oxyphenyl]propanoic acid?
The InChIKey is MZFQPMIKCFLMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2NO3/c1-11-7-12(2)23-18-5-4-14(10-15(11)18)26-20-16(21)8-13(9-17(20)22)3-6-19(24)25/h4-5,7-10H,3,6H2,1-2H3,(H,24,25).
What are the key properties of 3-[3,5-dichloro-4-(2,4-dimethylquinolin-6-yl)oxyphenyl]propanoic acid?
3-[3,5-dichloro-4-(2,4-dimethylquinolin-6-yl)oxyphenyl]propanoic acid has a molecular weight of 390.27 g/mol, XLogP of 5.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-dichloro-4-(2,4-dimethylquinolin-6-yl)oxyphenyl]propanoic acid is sourced from PubChem (CID 68528032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).