(2-benzamido-2-oxoethyl) 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate

C27H22N2O6 — CID 42968678

IUPAC(2-benzamido-2-oxoethyl) 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
SMILESCOc1ccc(-c2cc(C(=O)OCC(=O)NC(=O)c3ccccc3)c3ccccc3n2)cc1OC
InChIInChI=1S/C27H22N2O6/c1-33-23-13-12-18(14-24(23)34-2)22-15-20(19-10-6-7-11-21(19)28-22)27(32)35-16-25(30)29-26(31)17-8-4-3-5-9-17/h3-15H,16H2,1-2H3,(H,29,30,31)
InChIKeyJIJFHPVEUCCIJW-UHFFFAOYSA-N
MW470.48 g/mol
LogP4.03
Rot. Bonds7

About (2-benzamido-2-oxoethyl) 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate

(2-benzamido-2-oxoethyl) 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate (PubChem CID 42968678) has the molecular formula C27H22N2O6 and a molecular weight of 470.48 g/mol. Its IUPAC name is (2-benzamido-2-oxoethyl) 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name(2-benzamido-2-oxoethyl) 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
PubChem CID42968678
Molecular FormulaC27H22N2O6
Molecular Weight470.48 g/mol
Exact Mass470.15
IUPAC Name(2-benzamido-2-oxoethyl) 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
SMILESCOc1ccc(-c2cc(C(=O)OCC(=O)NC(=O)c3ccccc3)c3ccccc3n2)cc1OC
InChIInChI=1S/C27H22N2O6/c1-33-23-13-12-18(14-24(23)34-2)22-15-20(19-10-6-7-11-21(19)28-22)27(32)35-16-25(30)29-26(31)17-8-4-3-5-9-17/h3-15H,16H2,1-2H3,(H,29,30,31)
InChIKeyJIJFHPVEUCCIJW-UHFFFAOYSA-N
XLogP4.03
TPSA103.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.48
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 16530903
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 2693430
[2-oxo-2-(3-phenylpropylamino)ethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 2093536
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 35832298
[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-phenylquinoline-4-carboxylate
CID 23849618
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 2458555
[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 51695382
2-(3,4-dimethoxyphenyl)-N'-(3,3-dimethylbutanoyl)quinoline-4-carbohydrazide
CID 55376531
(2,6-dichlorophenyl)methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 2434662
[1-(carbamoylamino)-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 16530923
[(2R)-1-amino-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 7417732
ethyl 4-[[2-(3,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]benzoate
CID 4580773

Frequently Asked Questions

What is the IUPAC name of (2-benzamido-2-oxoethyl) 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate?
The IUPAC name of (2-benzamido-2-oxoethyl) 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate (CID 42968678) is (2-benzamido-2-oxoethyl) 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate.
What is the SMILES notation for (2-benzamido-2-oxoethyl) 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate?
The canonical SMILES for (2-benzamido-2-oxoethyl) 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate is COc1ccc(-c2cc(C(=O)OCC(=O)NC(=O)c3ccccc3)c3ccccc3n2)cc1OC.
What is the InChIKey of (2-benzamido-2-oxoethyl) 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate?
The InChIKey is JIJFHPVEUCCIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O6/c1-33-23-13-12-18(14-24(23)34-2)22-15-20(19-10-6-7-11-21(19)28-22)27(32)35-16-25(30)29-26(31)17-8-4-3-5-9-17/h3-15H,16H2,1-2H3,(H,29,30,31).
What are the key properties of (2-benzamido-2-oxoethyl) 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate?
(2-benzamido-2-oxoethyl) 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate has a molecular weight of 470.48 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzamido-2-oxoethyl) 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate is sourced from PubChem (CID 42968678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).