(2-benzamido-2-oxoethyl) 3-methyl-2-phenylquinoline-4-carboxylate

C26H20N2O4 — CID 41499799

IUPAC(2-benzamido-2-oxoethyl) 3-methyl-2-phenylquinoline-4-carboxylate
SMILESCc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCC(=O)NC(=O)c1ccccc1
InChIInChI=1S/C26H20N2O4/c1-17-23(26(31)32-16-22(29)28-25(30)19-12-6-3-7-13-19)20-14-8-9-15-21(20)27-24(17)18-10-4-2-5-11-18/h2-15H,16H2,1H3,(H,28,29,30)
InChIKeyCNMKWFYTMFPCPJ-UHFFFAOYSA-N
MW424.46 g/mol
LogP4.32
Rot. Bonds5

About (2-benzamido-2-oxoethyl) 3-methyl-2-phenylquinoline-4-carboxylate

(2-benzamido-2-oxoethyl) 3-methyl-2-phenylquinoline-4-carboxylate (PubChem CID 41499799) has the molecular formula C26H20N2O4 and a molecular weight of 424.46 g/mol. Its IUPAC name is (2-benzamido-2-oxoethyl) 3-methyl-2-phenylquinoline-4-carboxylate.

Molecular Properties

Compound Name(2-benzamido-2-oxoethyl) 3-methyl-2-phenylquinoline-4-carboxylate
PubChem CID41499799
Molecular FormulaC26H20N2O4
Molecular Weight424.46 g/mol
Exact Mass424.14
IUPAC Name(2-benzamido-2-oxoethyl) 3-methyl-2-phenylquinoline-4-carboxylate
SMILESCc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCC(=O)NC(=O)c1ccccc1
InChIInChI=1S/C26H20N2O4/c1-17-23(26(31)32-16-22(29)28-25(30)19-12-6-3-7-13-19)20-14-8-9-15-21(20)27-24(17)18-10-4-2-5-11-18/h2-15H,16H2,1H3,(H,28,29,30)
InChIKeyCNMKWFYTMFPCPJ-UHFFFAOYSA-N
XLogP4.32
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(tert-butylcarbamoylamino)-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate
CID 2496587
[2-(2-methoxyethylamino)-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate
CID 2096489
[2-(2,6-dimethylanilino)-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate
CID 16532315
[2-(2-fluoroanilino)-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate
CID 7846055
[2-(2,6-difluoroanilino)-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate
CID 16532317
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate
CID 16532309
[2-(4-nitrophenyl)-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate
CID 19132559
[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate
CID 2401989
[2-(benzhydrylamino)-2-oxoethyl] 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate
CID 2366069
(2-amino-2-oxoethyl) 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate
CID 2380079
[2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate
CID 3571453
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate
CID 2580488

Frequently Asked Questions

What is the IUPAC name of (2-benzamido-2-oxoethyl) 3-methyl-2-phenylquinoline-4-carboxylate?
The IUPAC name of (2-benzamido-2-oxoethyl) 3-methyl-2-phenylquinoline-4-carboxylate (CID 41499799) is (2-benzamido-2-oxoethyl) 3-methyl-2-phenylquinoline-4-carboxylate.
What is the SMILES notation for (2-benzamido-2-oxoethyl) 3-methyl-2-phenylquinoline-4-carboxylate?
The canonical SMILES for (2-benzamido-2-oxoethyl) 3-methyl-2-phenylquinoline-4-carboxylate is Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCC(=O)NC(=O)c1ccccc1.
What is the InChIKey of (2-benzamido-2-oxoethyl) 3-methyl-2-phenylquinoline-4-carboxylate?
The InChIKey is CNMKWFYTMFPCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O4/c1-17-23(26(31)32-16-22(29)28-25(30)19-12-6-3-7-13-19)20-14-8-9-15-21(20)27-24(17)18-10-4-2-5-11-18/h2-15H,16H2,1H3,(H,28,29,30).
What are the key properties of (2-benzamido-2-oxoethyl) 3-methyl-2-phenylquinoline-4-carboxylate?
(2-benzamido-2-oxoethyl) 3-methyl-2-phenylquinoline-4-carboxylate has a molecular weight of 424.46 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzamido-2-oxoethyl) 3-methyl-2-phenylquinoline-4-carboxylate is sourced from PubChem (CID 41499799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).