4-(3,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxyquinoline-3-carboxylic acid

C22H23NO6 — CID 22097630

IUPAC4-(3,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxyquinoline-3-carboxylic acid
SMILESCCc1nc2cc(OC)c(OC)cc2c(-c2ccc(OC)c(OC)c2)c1C(=O)O
InChIInChI=1S/C22H23NO6/c1-6-14-21(22(24)25)20(12-7-8-16(26-2)17(9-12)27-3)13-10-18(28-4)19(29-5)11-15(13)23-14/h7-11H,6H2,1-5H3,(H,24,25)
InChIKeyYRFUWQYAAFTNMZ-UHFFFAOYSA-N
MW397.43 g/mol
LogP4.20
Rot. Bonds7

About 4-(3,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxyquinoline-3-carboxylic acid

4-(3,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxyquinoline-3-carboxylic acid (PubChem CID 22097630) has the molecular formula C22H23NO6 and a molecular weight of 397.43 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxyquinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxyquinoline-3-carboxylic acid
PubChem CID22097630
Molecular FormulaC22H23NO6
Molecular Weight397.43 g/mol
Exact Mass397.15
IUPAC Name4-(3,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxyquinoline-3-carboxylic acid
SMILESCCc1nc2cc(OC)c(OC)cc2c(-c2ccc(OC)c(OC)c2)c1C(=O)O
InChIInChI=1S/C22H23NO6/c1-6-14-21(22(24)25)20(12-7-8-16(26-2)17(9-12)27-3)13-10-18(28-4)19(29-5)11-15(13)23-14/h7-11H,6H2,1-5H3,(H,24,25)
InChIKeyYRFUWQYAAFTNMZ-UHFFFAOYSA-N
XLogP4.20
TPSA87.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(3,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxyquinolin-3-yl]methanol
CID 22097659
1-[2-(bromomethyl)-4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinolin-3-yl]pentan-1-one
CID 19039881
ethyl 2-(2-bromoethyl)-4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinoline-3-carboxylate
CID 11799673
ethyl 2-(chloromethyl)-4-(3,4-dimethoxyphenyl)-7-methoxy-6-propan-2-yloxyquinoline-3-carboxylate
CID 10719290
4-(3,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylic acid
CID 3434675
butyl 4-(3,4-dimethoxyphenyl)-2-(imidazol-1-ylmethyl)-6,7-dimethoxyquinoline-3-carboxylate
CID 22097656
ethyl 6,7-dimethoxy-4-(3-methoxy-4-propan-2-yloxyphenyl)-2-(1,2,4-triazol-4-ylmethyl)quinoline-3-carboxylate
CID 22097591
ethyl 4-(3,4-dimethoxyphenyl)-7-hydroxy-6-methoxy-2-(1,2,4-triazol-1-ylmethyl)quinoline-3-carboxylate
CID 135430367
4-chloro-2-ethyl-7-methoxyquinoline-3-carboxylic acid
CID 53401269
ethyl 6,7-dimethoxy-4-(4-methoxyphenyl)-2-(morpholin-4-ylmethyl)quinoline-3-carboxylate
CID 19032367
[4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[2-(1-methylimidazol-2-yl)ethyl]quinolin-3-yl] ethyl carbonate
CID 23214025
4,6,7-trimethoxyquinoline-2,3-dicarboxylic acid
CID 19021402

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxyquinoline-3-carboxylic acid?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxyquinoline-3-carboxylic acid (CID 22097630) is 4-(3,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxyquinoline-3-carboxylic acid.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxyquinoline-3-carboxylic acid?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxyquinoline-3-carboxylic acid is CCc1nc2cc(OC)c(OC)cc2c(-c2ccc(OC)c(OC)c2)c1C(=O)O.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxyquinoline-3-carboxylic acid?
The InChIKey is YRFUWQYAAFTNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO6/c1-6-14-21(22(24)25)20(12-7-8-16(26-2)17(9-12)27-3)13-10-18(28-4)19(29-5)11-15(13)23-14/h7-11H,6H2,1-5H3,(H,24,25).
What are the key properties of 4-(3,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxyquinoline-3-carboxylic acid?
4-(3,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxyquinoline-3-carboxylic acid has a molecular weight of 397.43 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxyquinoline-3-carboxylic acid is sourced from PubChem (CID 22097630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).