2-(2,4-diethoxyphenyl)-6-methylquinoline-4-carboxylic acid

C21H21NO4 — CID 3507309

IUPAC2-(2,4-diethoxyphenyl)-6-methylquinoline-4-carboxylic acid
SMILESCCOc1ccc(-c2cc(C(=O)O)c3cc(C)ccc3n2)c(OCC)c1
InChIInChI=1S/C21H21NO4/c1-4-25-14-7-8-15(20(11-14)26-5-2)19-12-17(21(23)24)16-10-13(3)6-9-18(16)22-19/h6-12H,4-5H2,1-3H3,(H,23,24)
InChIKeyMWAMZESZVMUSQQ-UHFFFAOYSA-N
MW351.40 g/mol
LogP4.71
Rot. Bonds6

About 2-(2,4-diethoxyphenyl)-6-methylquinoline-4-carboxylic acid

2-(2,4-diethoxyphenyl)-6-methylquinoline-4-carboxylic acid (PubChem CID 3507309) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is 2-(2,4-diethoxyphenyl)-6-methylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,4-diethoxyphenyl)-6-methylquinoline-4-carboxylic acid
PubChem CID3507309
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC Name2-(2,4-diethoxyphenyl)-6-methylquinoline-4-carboxylic acid
SMILESCCOc1ccc(-c2cc(C(=O)O)c3cc(C)ccc3n2)c(OCC)c1
InChIInChI=1S/C21H21NO4/c1-4-25-14-7-8-15(20(11-14)26-5-2)19-12-17(21(23)24)16-10-13(3)6-9-18(16)22-19/h6-12H,4-5H2,1-3H3,(H,23,24)
InChIKeyMWAMZESZVMUSQQ-UHFFFAOYSA-N
XLogP4.71
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-diethoxyphenyl)quinoline-4-carboxylic acid
CID 753136
2-(2-ethoxyphenyl)-6-methylquinoline-4-carbonyl chloride
CID 46779305
6-ethoxy-2-(4-ethoxyphenyl)quinoline-4-carboxylic acid
CID 3511446
2-(2,5-dimethoxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 841838
6-ethoxy-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
CID 4021032
[2-(2,4-dimethoxyphenyl)-6-methylquinolin-4-yl]-pyrrolidin-1-ylmethanone
CID 42749995
2-(2-carboxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 15376151
2-(4-ethoxyphenyl)-6-ethylquinoline-4-carboxylic acid
CID 4021744
2-(3-chloro-4-methoxyphenyl)-6-ethoxyquinoline-4-carboxylic acid
CID 3925337
2-(2,5-dimethylphenyl)-6-methoxyquinoline-4-carboxylic acid
CID 3263095
6-chloro-2-(2,4-dimethoxyphenyl)quinoline-4-carboxylic acid
CID 138811121
2-(2,4-difluorophenyl)-6-methylquinoline-4-carboxylic acid
CID 5238835

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-diethoxyphenyl)-6-methylquinoline-4-carboxylic acid?
The IUPAC name of 2-(2,4-diethoxyphenyl)-6-methylquinoline-4-carboxylic acid (CID 3507309) is 2-(2,4-diethoxyphenyl)-6-methylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(2,4-diethoxyphenyl)-6-methylquinoline-4-carboxylic acid?
The canonical SMILES for 2-(2,4-diethoxyphenyl)-6-methylquinoline-4-carboxylic acid is CCOc1ccc(-c2cc(C(=O)O)c3cc(C)ccc3n2)c(OCC)c1.
What is the InChIKey of 2-(2,4-diethoxyphenyl)-6-methylquinoline-4-carboxylic acid?
The InChIKey is MWAMZESZVMUSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4/c1-4-25-14-7-8-15(20(11-14)26-5-2)19-12-17(21(23)24)16-10-13(3)6-9-18(16)22-19/h6-12H,4-5H2,1-3H3,(H,23,24).
What are the key properties of 2-(2,4-diethoxyphenyl)-6-methylquinoline-4-carboxylic acid?
2-(2,4-diethoxyphenyl)-6-methylquinoline-4-carboxylic acid has a molecular weight of 351.40 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-diethoxyphenyl)-6-methylquinoline-4-carboxylic acid is sourced from PubChem (CID 3507309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).