2-(3-methoxy-4-pentoxyphenyl)-8-methylquinoline-4-carboxylic acid

C23H25NO4 — CID 7139672

IUPAC2-(3-methoxy-4-pentoxyphenyl)-8-methylquinoline-4-carboxylic acid
SMILESCCCCCOc1ccc(-c2cc(C(=O)O)c3cccc(C)c3n2)cc1OC
InChIInChI=1S/C23H25NO4/c1-4-5-6-12-28-20-11-10-16(13-21(20)27-3)19-14-18(23(25)26)17-9-7-8-15(2)22(17)24-19/h7-11,13-14H,4-6,12H2,1-3H3,(H,25,26)
InChIKeyUZQMLKXETBOASJ-UHFFFAOYSA-N
MW379.46 g/mol
LogP5.49
Rot. Bonds8

About 2-(3-methoxy-4-pentoxyphenyl)-8-methylquinoline-4-carboxylic acid

2-(3-methoxy-4-pentoxyphenyl)-8-methylquinoline-4-carboxylic acid (PubChem CID 7139672) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-(3-methoxy-4-pentoxyphenyl)-8-methylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-methoxy-4-pentoxyphenyl)-8-methylquinoline-4-carboxylic acid
PubChem CID7139672
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Name2-(3-methoxy-4-pentoxyphenyl)-8-methylquinoline-4-carboxylic acid
SMILESCCCCCOc1ccc(-c2cc(C(=O)O)c3cccc(C)c3n2)cc1OC
InChIInChI=1S/C23H25NO4/c1-4-5-6-12-28-20-11-10-16(13-21(20)27-3)19-14-18(23(25)26)17-9-7-8-15(2)22(17)24-19/h7-11,13-14H,4-6,12H2,1-3H3,(H,25,26)
InChIKeyUZQMLKXETBOASJ-UHFFFAOYSA-N
XLogP5.49
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.46
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-8-methylquinoline-4-carboxylic acid
CID 7139641
8-methyl-2-(4-pentoxyphenyl)quinoline-4-carboxylic acid
CID 7139668
2-(3,4-diethoxyphenyl)-8-methylquinoline-4-carboxylic acid
CID 7139654
8-methoxy-2-(3-propoxyphenyl)quinoline-4-carboxylic acid
CID 7139834
2-(3,4-dichlorophenyl)-8-methylquinoline-4-carboxylic acid
CID 5202236
2-(3-bromo-5-methoxy-4-propoxyphenyl)-8-methoxyquinoline-4-carboxylic acid
CID 7139876
2-(3-ethoxyphenyl)-8-methoxyquinoline-4-carboxylic acid
CID 7139832
2-(3-bromo-5-methoxy-4-pentoxyphenyl)-8-methoxyquinoline-4-carboxylate
CID 7139869
2-(4-butoxyphenyl)-6,8-dimethylquinoline-4-carboxylic acid
CID 25218882
8-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)quinoline-4-carboxylic acid
CID 50889237
2-(3,4-dimethoxyphenyl)-N-octylquinoline-4-carboxamide
CID 3664969
diethyl 4-(3-methoxy-4-pentoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232519

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-pentoxyphenyl)-8-methylquinoline-4-carboxylic acid?
The IUPAC name of 2-(3-methoxy-4-pentoxyphenyl)-8-methylquinoline-4-carboxylic acid (CID 7139672) is 2-(3-methoxy-4-pentoxyphenyl)-8-methylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(3-methoxy-4-pentoxyphenyl)-8-methylquinoline-4-carboxylic acid?
The canonical SMILES for 2-(3-methoxy-4-pentoxyphenyl)-8-methylquinoline-4-carboxylic acid is CCCCCOc1ccc(-c2cc(C(=O)O)c3cccc(C)c3n2)cc1OC.
What is the InChIKey of 2-(3-methoxy-4-pentoxyphenyl)-8-methylquinoline-4-carboxylic acid?
The InChIKey is UZQMLKXETBOASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4/c1-4-5-6-12-28-20-11-10-16(13-21(20)27-3)19-14-18(23(25)26)17-9-7-8-15(2)22(17)24-19/h7-11,13-14H,4-6,12H2,1-3H3,(H,25,26).
What are the key properties of 2-(3-methoxy-4-pentoxyphenyl)-8-methylquinoline-4-carboxylic acid?
2-(3-methoxy-4-pentoxyphenyl)-8-methylquinoline-4-carboxylic acid has a molecular weight of 379.46 g/mol, XLogP of 5.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-pentoxyphenyl)-8-methylquinoline-4-carboxylic acid is sourced from PubChem (CID 7139672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).