[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate

C18H20N2O4 — CID 7504524

IUPAC[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate
SMILESC[C@@H](OC(=O)c1cc(=O)c2ccccc2[nH]1)C(=O)NC1CCCC1
InChIInChI=1S/C18H20N2O4/c1-11(17(22)19-12-6-2-3-7-12)24-18(23)15-10-16(21)13-8-4-5-9-14(13)20-15/h4-5,8-12H,2-3,6-7H2,1H3,(H,19,22)(H,20,21)/t11-/m1/s1
InChIKeyOPUQKZBWZDEFHF-LLVKDONJSA-N
MW328.37 g/mol
LogP2.13
Rot. Bonds4

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

[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate (PubChem CID 7504524) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate
PubChem CID7504524
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate
SMILESC[C@@H](OC(=O)c1cc(=O)c2ccccc2[nH]1)C(=O)NC1CCCC1
InChIInChI=1S/C18H20N2O4/c1-11(17(22)19-12-6-2-3-7-12)24-18(23)15-10-16(21)13-8-4-5-9-14(13)20-15/h4-5,8-12H,2-3,6-7H2,1H3,(H,19,22)(H,20,21)/t11-/m1/s1
InChIKeyOPUQKZBWZDEFHF-LLVKDONJSA-N
XLogP2.13
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate
CID 7507129
[(2R)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 4-oxo-1H-quinoline-2-carboxylate
CID 7504500
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate
CID 7723076
[(2R)-1-(benzylamino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate
CID 7504448
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate
CID 7507662
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 7761842
[(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate
CID 7504312
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate
CID 2630507
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 2630770
[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate
CID 7504474
[1-(cyclohexylamino)-1-oxopropan-2-yl] benzoate
CID 42902121
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate
CID 7968487

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate?
The IUPAC name of [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate (CID 7504524) is [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate.
What is the SMILES notation for [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate?
The canonical SMILES for [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate is C[C@@H](OC(=O)c1cc(=O)c2ccccc2[nH]1)C(=O)NC1CCCC1.
What is the InChIKey of [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate?
The InChIKey is OPUQKZBWZDEFHF-LLVKDONJSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-11(17(22)19-12-6-2-3-7-12)24-18(23)15-10-16(21)13-8-4-5-9-14(13)20-15/h4-5,8-12H,2-3,6-7H2,1H3,(H,19,22)(H,20,21)/t11-/m1/s1.
What are the key properties of [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate?
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate has a molecular weight of 328.37 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate is sourced from PubChem (CID 7504524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).