[2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate

C29H26N2O5 — CID 42980888

IUPAC[2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
SMILESCOc1ccc(-c2cc(C(=O)OCC(=O)NC(Cc3ccccc3)C(C)=O)c3ccccc3n2)cc1
InChIInChI=1S/C29H26N2O5/c1-19(32)26(16-20-8-4-3-5-9-20)31-28(33)18-36-29(34)24-17-27(21-12-14-22(35-2)15-13-21)30-25-11-7-6-10-23(24)25/h3-15,17,26H,16,18H2,1-2H3,(H,31,33)
InChIKeySXFPWVJRUITUAE-UHFFFAOYSA-N
MW482.54 g/mol
LogP4.38
Rot. Bonds9

About [2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate

[2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate (PubChem CID 42980888) has the molecular formula C29H26N2O5 and a molecular weight of 482.54 g/mol. Its IUPAC name is [2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
PubChem CID42980888
Molecular FormulaC29H26N2O5
Molecular Weight482.54 g/mol
Exact Mass482.18
IUPAC Name[2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
SMILESCOc1ccc(-c2cc(C(=O)OCC(=O)NC(Cc3ccccc3)C(C)=O)c3ccccc3n2)cc1
InChIInChI=1S/C29H26N2O5/c1-19(32)26(16-20-8-4-3-5-9-20)31-28(33)18-36-29(34)24-17-27(21-12-14-22(35-2)15-13-21)30-25-11-7-6-10-23(24)25/h3-15,17,26H,16,18H2,1-2H3,(H,31,33)
InChIKeySXFPWVJRUITUAE-UHFFFAOYSA-N
XLogP4.38
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate with MolForge

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Related Compounds

[2-(benzylamino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2335668
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 4-methoxybenzoate
CID 7862103
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2128183
[2-(dibenzylamino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 23988368
[2-(3-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 17261984
[2-(4-ethoxycarbonylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 17258500
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 23994526
[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-methoxybenzoate
CID 7811805
[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-phenylquinoline-4-carboxylate
CID 23937440
2-oxopropyl 2-(4-phenylphenyl)quinoline-4-carboxylate
CID 3948184
[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate
CID 23829059
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 6-methoxy-2-phenylquinoline-4-carboxylate
CID 7132339

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate?
The IUPAC name of [2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate (CID 42980888) is [2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate.
What is the SMILES notation for [2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate?
The canonical SMILES for [2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate is COc1ccc(-c2cc(C(=O)OCC(=O)NC(Cc3ccccc3)C(C)=O)c3ccccc3n2)cc1.
What is the InChIKey of [2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate?
The InChIKey is SXFPWVJRUITUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O5/c1-19(32)26(16-20-8-4-3-5-9-20)31-28(33)18-36-29(34)24-17-27(21-12-14-22(35-2)15-13-21)30-25-11-7-6-10-23(24)25/h3-15,17,26H,16,18H2,1-2H3,(H,31,33).
What are the key properties of [2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate?
[2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate has a molecular weight of 482.54 g/mol, XLogP of 4.38, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate is sourced from PubChem (CID 42980888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).