[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 6-methoxy-2-phenylquinoline-4-carboxylate

C23H23N3O5 — CID 7132339

IUPAC[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 6-methoxy-2-phenylquinoline-4-carboxylate
SMILESCOc1ccc2nc(-c3ccccc3)cc(C(=O)OCC(=O)NC(=O)NC(C)C)c2c1
InChIInChI=1S/C23H23N3O5/c1-14(2)24-23(29)26-21(27)13-31-22(28)18-12-20(15-7-5-4-6-8-15)25-19-10-9-16(30-3)11-17(18)19/h4-12,14H,13H2,1-3H3,(H2,24,26,27,29)
InChIKeyKMIFMKOWATVEEY-UHFFFAOYSA-N
MW421.45 g/mol
LogP3.30
Rot. Bonds6

About [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 6-methoxy-2-phenylquinoline-4-carboxylate

[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 6-methoxy-2-phenylquinoline-4-carboxylate (PubChem CID 7132339) has the molecular formula C23H23N3O5 and a molecular weight of 421.45 g/mol. Its IUPAC name is [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 6-methoxy-2-phenylquinoline-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 6-methoxy-2-phenylquinoline-4-carboxylate
PubChem CID7132339
Molecular FormulaC23H23N3O5
Molecular Weight421.45 g/mol
Exact Mass421.16
IUPAC Name[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 6-methoxy-2-phenylquinoline-4-carboxylate
SMILESCOc1ccc2nc(-c3ccccc3)cc(C(=O)OCC(=O)NC(=O)NC(C)C)c2c1
InChIInChI=1S/C23H23N3O5/c1-14(2)24-23(29)26-21(27)13-31-22(28)18-12-20(15-7-5-4-6-8-15)25-19-10-9-16(30-3)11-17(18)19/h4-12,14H,13H2,1-3H3,(H2,24,26,27,29)
InChIKeyKMIFMKOWATVEEY-UHFFFAOYSA-N
XLogP3.30
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 8980412
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-methoxynaphthalene-2-carboxylate
CID 2646135
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate
CID 16544043
[2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 42980888
[2-(benzylamino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2335668
[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 6-methoxy-2-phenylquinoline-4-carboxylate
CID 25163697
(3-cyano-4-imino-2-oxopentyl) 6-methoxy-2-phenylquinoline-4-carboxylate
CID 7132345
[2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-methoxyphenyl)-6-methylquinoline-4-carboxylate
CID 3591091
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 6-methoxy-2-phenylquinoline-4-carboxylate
CID 7132372
[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate
CID 23829059
[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-phenylquinoline-4-carboxylate
CID 23937440
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2128183

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 6-methoxy-2-phenylquinoline-4-carboxylate?
The IUPAC name of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 6-methoxy-2-phenylquinoline-4-carboxylate (CID 7132339) is [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 6-methoxy-2-phenylquinoline-4-carboxylate.
What is the SMILES notation for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 6-methoxy-2-phenylquinoline-4-carboxylate?
The canonical SMILES for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 6-methoxy-2-phenylquinoline-4-carboxylate is COc1ccc2nc(-c3ccccc3)cc(C(=O)OCC(=O)NC(=O)NC(C)C)c2c1.
What is the InChIKey of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 6-methoxy-2-phenylquinoline-4-carboxylate?
The InChIKey is KMIFMKOWATVEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5/c1-14(2)24-23(29)26-21(27)13-31-22(28)18-12-20(15-7-5-4-6-8-15)25-19-10-9-16(30-3)11-17(18)19/h4-12,14H,13H2,1-3H3,(H2,24,26,27,29).
What are the key properties of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 6-methoxy-2-phenylquinoline-4-carboxylate?
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 6-methoxy-2-phenylquinoline-4-carboxylate has a molecular weight of 421.45 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 6-methoxy-2-phenylquinoline-4-carboxylate is sourced from PubChem (CID 7132339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).