2-(2,5-dimethoxyphenyl)-5,8-dimethylquinoline-4-carboxylic acid

C20H19NO4 — CID 3972105

IUPAC2-(2,5-dimethoxyphenyl)-5,8-dimethylquinoline-4-carboxylic acid
SMILESCOc1ccc(OC)c(-c2cc(C(=O)O)c3c(C)ccc(C)c3n2)c1
InChIInChI=1S/C20H19NO4/c1-11-5-6-12(2)19-18(11)15(20(22)23)10-16(21-19)14-9-13(24-3)7-8-17(14)25-4/h5-10H,1-4H3,(H,22,23)
InChIKeyQSOLYDRLZFASFB-UHFFFAOYSA-N
MW337.38 g/mol
LogP4.23
Rot. Bonds4

About 2-(2,5-dimethoxyphenyl)-5,8-dimethylquinoline-4-carboxylic acid

2-(2,5-dimethoxyphenyl)-5,8-dimethylquinoline-4-carboxylic acid (PubChem CID 3972105) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-5,8-dimethylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-5,8-dimethylquinoline-4-carboxylic acid
PubChem CID3972105
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name2-(2,5-dimethoxyphenyl)-5,8-dimethylquinoline-4-carboxylic acid
SMILESCOc1ccc(OC)c(-c2cc(C(=O)O)c3c(C)ccc(C)c3n2)c1
InChIInChI=1S/C20H19NO4/c1-11-5-6-12(2)19-18(11)15(20(22)23)10-16(21-19)14-9-13(24-3)7-8-17(14)25-4/h5-10H,1-4H3,(H,22,23)
InChIKeyQSOLYDRLZFASFB-UHFFFAOYSA-N
XLogP4.23
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxy-5-methylphenyl)-5,8-dimethylquinoline-4-carboxylic acid
CID 3333704
2-(2,5-dimethoxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 841838
2-(2,5-dimethoxyphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid
CID 3469599
2-(2,5-dimethoxyphenyl)-6,8-dimethylquinoline-4-carbonyl chloride
CID 46779379
2-chloro-8-methoxy-5-methylquinoline-4-carboxylic acid
CID 82184159
2-(2,4-difluorophenyl)-5,8-dimethylquinoline-4-carboxylic acid
CID 3881331
8-chloro-2-(2,5-dimethoxyphenyl)quinoline-4-carbonyl chloride
CID 46779499
6-(2,5-dimethoxyphenyl)-2-(dimethylamino)pyridine-3-carboxylic acid
CID 94313799
2-tert-butyl-8-methoxy-5-methylquinoline-4-carboxylic acid
CID 82184134
6-(2,5-dimethoxyphenyl)-3-(4-ethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 22426568
2-(2,5-dimethylphenyl)-6-methoxyquinoline-4-carboxylic acid
CID 3263095
5-(2,5-dimethoxyphenyl)-2-phenyl-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 42110055

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-5,8-dimethylquinoline-4-carboxylic acid?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-5,8-dimethylquinoline-4-carboxylic acid (CID 3972105) is 2-(2,5-dimethoxyphenyl)-5,8-dimethylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-5,8-dimethylquinoline-4-carboxylic acid?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-5,8-dimethylquinoline-4-carboxylic acid is COc1ccc(OC)c(-c2cc(C(=O)O)c3c(C)ccc(C)c3n2)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-5,8-dimethylquinoline-4-carboxylic acid?
The InChIKey is QSOLYDRLZFASFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-11-5-6-12(2)19-18(11)15(20(22)23)10-16(21-19)14-9-13(24-3)7-8-17(14)25-4/h5-10H,1-4H3,(H,22,23).
What are the key properties of 2-(2,5-dimethoxyphenyl)-5,8-dimethylquinoline-4-carboxylic acid?
2-(2,5-dimethoxyphenyl)-5,8-dimethylquinoline-4-carboxylic acid has a molecular weight of 337.38 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-5,8-dimethylquinoline-4-carboxylic acid is sourced from PubChem (CID 3972105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).