[(2R)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate

C21H26N2O4 — CID 8789590

IUPAC[(2R)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
SMILESCCN(C(=O)[C@@H](C)OC(=O)c1cc(=O)[nH]c2ccccc12)C1CCCCC1
InChIInChI=1S/C21H26N2O4/c1-3-23(15-9-5-4-6-10-15)20(25)14(2)27-21(26)17-13-19(24)22-18-12-8-7-11-16(17)18/h7-8,11-15H,3-6,9-10H2,1-2H3,(H,22,24)/t14-/m1/s1
InChIKeyJTZOVPPWDVUYPU-CQSZACIVSA-N
MW370.45 g/mol
LogP3.25
Rot. Bonds5

About [(2R)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate

[(2R)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate (PubChem CID 8789590) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is [(2R)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Name[(2R)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
PubChem CID8789590
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name[(2R)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
SMILESCCN(C(=O)[C@@H](C)OC(=O)c1cc(=O)[nH]c2ccccc12)C1CCCCC1
InChIInChI=1S/C21H26N2O4/c1-3-23(15-9-5-4-6-10-15)20(25)14(2)27-21(26)17-13-19(24)22-18-12-8-7-11-16(17)18/h7-8,11-15H,3-6,9-10H2,1-2H3,(H,22,24)/t14-/m1/s1
InChIKeyJTZOVPPWDVUYPU-CQSZACIVSA-N
XLogP3.25
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2R)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[2-[cyclopentyl(propan-2-yl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 71888056
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[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 26008623
[(2R)-1-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 11920436
[(2S)-1-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 100839094
[(2S)-1-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-1-oxopropan-2-yl] 1H-indole-3-carboxylate
CID 9382456
(1-anilino-1-oxopropan-2-yl) 2-oxo-1H-quinoline-4-carboxylate
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[(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 8789544
[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 55525859
[1-(benzylamino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 17409936
[(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 7761801
[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate?
The IUPAC name of [(2R)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate (CID 8789590) is [(2R)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate.
What is the SMILES notation for [(2R)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate?
The canonical SMILES for [(2R)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate is CCN(C(=O)[C@@H](C)OC(=O)c1cc(=O)[nH]c2ccccc12)C1CCCCC1.
What is the InChIKey of [(2R)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate?
The InChIKey is JTZOVPPWDVUYPU-CQSZACIVSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-3-23(15-9-5-4-6-10-15)20(25)14(2)27-21(26)17-13-19(24)22-18-12-8-7-11-16(17)18/h7-8,11-15H,3-6,9-10H2,1-2H3,(H,22,24)/t14-/m1/s1.
What are the key properties of [(2R)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate?
[(2R)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate has a molecular weight of 370.45 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate is sourced from PubChem (CID 8789590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).