[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate

C26H19FN2O5 — CID 35832298

IUPAC[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
SMILESCOc1ccccc1C(=O)NC(=O)COC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C26H19FN2O5/c1-33-23-9-5-3-7-19(23)25(31)29-24(30)15-34-26(32)20-14-22(16-10-12-17(27)13-11-16)28-21-8-4-2-6-18(20)21/h2-14H,15H2,1H3,(H,29,30,31)
InChIKeyLPNHFDPXVUDFLS-UHFFFAOYSA-N
MW458.45 g/mol
LogP4.16
Rot. Bonds6

About [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate

[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate (PubChem CID 35832298) has the molecular formula C26H19FN2O5 and a molecular weight of 458.45 g/mol. Its IUPAC name is [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
PubChem CID35832298
Molecular FormulaC26H19FN2O5
Molecular Weight458.45 g/mol
Exact Mass458.13
IUPAC Name[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
SMILESCOc1ccccc1C(=O)NC(=O)COC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C26H19FN2O5/c1-33-23-9-5-3-7-19(23)25(31)29-24(30)15-34-26(32)20-14-22(16-10-12-17(27)13-11-16)28-21-8-4-2-6-18(20)21/h2-14H,15H2,1H3,(H,29,30,31)
InChIKeyLPNHFDPXVUDFLS-UHFFFAOYSA-N
XLogP4.16
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.45
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-benzamido-2-oxoethyl) 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 42968678
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
CID 23771017
N'-(2-methoxybenzoyl)-2-phenylquinoline-4-carbohydrazide
CID 6734416
[2-(4-fluorophenyl)-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 5037527
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 7780535
[2-(3-fluoroanilino)-2-oxoethyl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 7825012
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-phenylquinoline-4-carboxylate
CID 7866853
[2-(benzylamino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2335668
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 2092256
[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 16958742
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2128183
N'-[2-(4-fluorophenyl)acetyl]-2-(4-methoxyphenyl)quinoline-4-carbohydrazide
CID 26657004

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate?
The IUPAC name of [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate (CID 35832298) is [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate.
What is the SMILES notation for [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate?
The canonical SMILES for [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate is COc1ccccc1C(=O)NC(=O)COC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12.
What is the InChIKey of [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate?
The InChIKey is LPNHFDPXVUDFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN2O5/c1-33-23-9-5-3-7-19(23)25(31)29-24(30)15-34-26(32)20-14-22(16-10-12-17(27)13-11-16)28-21-8-4-2-6-18(20)21/h2-14H,15H2,1H3,(H,29,30,31).
What are the key properties of [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate?
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate has a molecular weight of 458.45 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate is sourced from PubChem (CID 35832298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).