[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate

C19H21N3O5 — CID 2087561

IUPAC[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
SMILESO=C(COC(=O)c1cc(=O)[nH]c2ccccc12)NC(=O)NC1CCCCC1
InChIInChI=1S/C19H21N3O5/c23-16-10-14(13-8-4-5-9-15(13)21-16)18(25)27-11-17(24)22-19(26)20-12-6-2-1-3-7-12/h4-5,8-10,12H,1-3,6-7,11H2,(H,21,23)(H2,20,22,24,26)
InChIKeyUNTBLFGBFUMDBH-UHFFFAOYSA-N
MW371.39 g/mol
LogP1.84
Rot. Bonds4

About [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate

[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate (PubChem CID 2087561) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
PubChem CID2087561
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC Name[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
SMILESO=C(COC(=O)c1cc(=O)[nH]c2ccccc12)NC(=O)NC1CCCCC1
InChIInChI=1S/C19H21N3O5/c23-16-10-14(13-8-4-5-9-15(13)21-16)18(25)27-11-17(24)22-19(26)20-12-6-2-1-3-7-12/h4-5,8-10,12H,1-3,6-7,11H2,(H,21,23)(H2,20,22,24,26)
InChIKeyUNTBLFGBFUMDBH-UHFFFAOYSA-N
XLogP1.84
TPSA117.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-Oxo-2-phenylethyl 2-hydroxyquinoline-4-carboxylate
CID 684408
[2-oxo-2-(2-phenylethylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2358098
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2417566
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2384771
[2-(cyclopentylamino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2434710
[2-(Cyclohexylcarbamoylamino)-2-oxoethyl] 4-acetamidobenzoate
CID 2546156
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2573575
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2587843
[2-(cyclooctylamino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2646014
2-[[oxo-(2-oxo-1H-quinolin-4-yl)methyl]amino]-3-phenylpropanoic acid methyl ester
CID 3998366
[2-[1-(4-Fluorophenyl)ethylamino]-2-oxoethyl] 3-acetamidobenzoate
CID 4877159
Ethyl 2-[[2-[2-(carbamoylamino)-4-methylpentanoyl]oxyacetyl]amino]benzoate
CID 5022440

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
The IUPAC name of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate (CID 2087561) is [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate.
What is the SMILES notation for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
The canonical SMILES for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate is O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)NC(=O)NC1CCCCC1.
What is the InChIKey of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
The InChIKey is UNTBLFGBFUMDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c23-16-10-14(13-8-4-5-9-15(13)21-16)18(25)27-11-17(24)22-19(26)20-12-6-2-1-3-7-12/h4-5,8-10,12H,1-3,6-7,11H2,(H,21,23)(H2,20,22,24,26).
What are the key properties of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate has a molecular weight of 371.39 g/mol, XLogP of 1.84, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate is sourced from PubChem (CID 2087561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).