2-[butyl(methyl)amino]-6-[2-(2-methoxyphenyl)-2-oxoethyl]quinoline-4-carboxylic acid

C24H26N2O4 — CID 158527196

IUPAC2-[butyl(methyl)amino]-6-[2-(2-methoxyphenyl)-2-oxoethyl]quinoline-4-carboxylic acid
SMILESCCCCN(C)c1cc(C(=O)O)c2cc(CC(=O)c3ccccc3OC)ccc2n1
InChIInChI=1S/C24H26N2O4/c1-4-5-12-26(2)23-15-19(24(28)29)18-13-16(10-11-20(18)25-23)14-21(27)17-8-6-7-9-22(17)30-3/h6-11,13,15H,4-5,12,14H2,1-3H3,(H,28,29)
InChIKeyWFDSLLIWFXCETM-UHFFFAOYSA-N
MW406.48 g/mol
LogP4.60
Rot. Bonds9

About 2-[butyl(methyl)amino]-6-[2-(2-methoxyphenyl)-2-oxoethyl]quinoline-4-carboxylic acid

2-[butyl(methyl)amino]-6-[2-(2-methoxyphenyl)-2-oxoethyl]quinoline-4-carboxylic acid (PubChem CID 158527196) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is 2-[butyl(methyl)amino]-6-[2-(2-methoxyphenyl)-2-oxoethyl]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-[butyl(methyl)amino]-6-[2-(2-methoxyphenyl)-2-oxoethyl]quinoline-4-carboxylic acid
PubChem CID158527196
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name2-[butyl(methyl)amino]-6-[2-(2-methoxyphenyl)-2-oxoethyl]quinoline-4-carboxylic acid
SMILESCCCCN(C)c1cc(C(=O)O)c2cc(CC(=O)c3ccccc3OC)ccc2n1
InChIInChI=1S/C24H26N2O4/c1-4-5-12-26(2)23-15-19(24(28)29)18-13-16(10-11-20(18)25-23)14-21(27)17-8-6-7-9-22(17)30-3/h6-11,13,15H,4-5,12,14H2,1-3H3,(H,28,29)
InChIKeyWFDSLLIWFXCETM-UHFFFAOYSA-N
XLogP4.60
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[carboxymethyl(methyl)amino]-6-hexylquinolin-4-yl]benzoic acid
CID 156809467
2-[4-[2-(2-methoxyphenyl)-2-oxoethyl]phenyl]acetic acid
CID 158147821
6-butyl-2-methylquinoline-4-carboxylic acid
CID 4572965
1-(2-methoxyphenyl)undecan-1-one
CID 63411736
6-butyl-2-(4-methylphenyl)quinoline-4-carboxylic acid
CID 3996403
2-[methyl-[2-(1H-pyrazol-4-yl)ethyl]amino]quinoline-4-carboxylic acid
CID 50806130
2-[methyl(octyl)amino]benzoic acid
CID 21437831
2-[2-(2-methoxyphenyl)acetyl]benzoic acid
CID 83743438
2-methoxy-4-[[methyl(pentyl)amino]methyl]benzoic acid
CID 106793474
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
2-[butyl(methyl)amino]-4-methylbenzoic acid
CID 62701140
6-[butyl(methyl)amino]-N-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109372834

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(methyl)amino]-6-[2-(2-methoxyphenyl)-2-oxoethyl]quinoline-4-carboxylic acid?
The IUPAC name of 2-[butyl(methyl)amino]-6-[2-(2-methoxyphenyl)-2-oxoethyl]quinoline-4-carboxylic acid (CID 158527196) is 2-[butyl(methyl)amino]-6-[2-(2-methoxyphenyl)-2-oxoethyl]quinoline-4-carboxylic acid.
What is the SMILES notation for 2-[butyl(methyl)amino]-6-[2-(2-methoxyphenyl)-2-oxoethyl]quinoline-4-carboxylic acid?
The canonical SMILES for 2-[butyl(methyl)amino]-6-[2-(2-methoxyphenyl)-2-oxoethyl]quinoline-4-carboxylic acid is CCCCN(C)c1cc(C(=O)O)c2cc(CC(=O)c3ccccc3OC)ccc2n1.
What is the InChIKey of 2-[butyl(methyl)amino]-6-[2-(2-methoxyphenyl)-2-oxoethyl]quinoline-4-carboxylic acid?
The InChIKey is WFDSLLIWFXCETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-4-5-12-26(2)23-15-19(24(28)29)18-13-16(10-11-20(18)25-23)14-21(27)17-8-6-7-9-22(17)30-3/h6-11,13,15H,4-5,12,14H2,1-3H3,(H,28,29).
What are the key properties of 2-[butyl(methyl)amino]-6-[2-(2-methoxyphenyl)-2-oxoethyl]quinoline-4-carboxylic acid?
2-[butyl(methyl)amino]-6-[2-(2-methoxyphenyl)-2-oxoethyl]quinoline-4-carboxylic acid has a molecular weight of 406.48 g/mol, XLogP of 4.60, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(methyl)amino]-6-[2-(2-methoxyphenyl)-2-oxoethyl]quinoline-4-carboxylic acid is sourced from PubChem (CID 158527196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).