[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate

C20H23N3O5 — CID 7761842

IUPAC[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
SMILESC[C@H](OC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C20H23N3O5/c1-12(18(25)23-20(27)21-13-7-3-2-4-8-13)28-19(26)15-11-17(24)22-16-10-6-5-9-14(15)16/h5-6,9-13H,2-4,7-8H2,1H3,(H,22,24)(H2,21,23,25,27)/t12-/m0/s1
InChIKeyDKWZJRBSGVEFMP-LBPRGKRZSA-N
MW385.42 g/mol
LogP2.23
Rot. Bonds4

About [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate

[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate (PubChem CID 7761842) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Name[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
PubChem CID7761842
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC Name[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
SMILESC[C@H](OC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C20H23N3O5/c1-12(18(25)23-20(27)21-13-7-3-2-4-8-13)28-19(26)15-11-17(24)22-16-10-6-5-9-14(15)16/h5-6,9-13H,2-4,7-8H2,1H3,(H,22,24)(H2,21,23,25,27)/t12-/m0/s1
InChIKeyDKWZJRBSGVEFMP-LBPRGKRZSA-N
XLogP2.23
TPSA117.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate with MolForge

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Related Compounds

[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 7761837
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate
CID 7723076
[(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
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate
CID 7504524
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-bromobenzoate
CID 7476830
(1-anilino-1-oxopropan-2-yl) 2-oxo-1H-quinoline-4-carboxylate
CID 16529843
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-[(S)-methylsulfinyl]benzoate
CID 11927258
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(methylamino)benzoate
CID 7373032
[1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 71943605
[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 26008623
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(methylamino)benzoate
CID 7373033

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate?
The IUPAC name of [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate (CID 7761842) is [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate.
What is the SMILES notation for [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate?
The canonical SMILES for [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate is C[C@H](OC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)NC(=O)NC1CCCCC1.
What is the InChIKey of [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate?
The InChIKey is DKWZJRBSGVEFMP-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-12(18(25)23-20(27)21-13-7-3-2-4-8-13)28-19(26)15-11-17(24)22-16-10-6-5-9-14(15)16/h5-6,9-13H,2-4,7-8H2,1H3,(H,22,24)(H2,21,23,25,27)/t12-/m0/s1.
What are the key properties of [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate?
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate has a molecular weight of 385.42 g/mol, XLogP of 2.23, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate is sourced from PubChem (CID 7761842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).