[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate

C18H20FN3O5 — CID 46695916

IUPAC[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate
SMILESO=C(COC(=O)C1CC(=O)Nc2cc(F)ccc21)NC(=O)NC1CCCC1
InChIInChI=1S/C18H20FN3O5/c19-10-5-6-12-13(8-15(23)21-14(12)7-10)17(25)27-9-16(24)22-18(26)20-11-3-1-2-4-11/h5-7,11,13H,1-4,8-9H2,(H,21,23)(H2,20,22,24,26)
InChIKeyFCVKCWAQUOHXGG-UHFFFAOYSA-N
MW377.37 g/mol
LogP1.56
Rot. Bonds4

About [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate

[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate (PubChem CID 46695916) has the molecular formula C18H20FN3O5 and a molecular weight of 377.37 g/mol. Its IUPAC name is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate
PubChem CID46695916
Molecular FormulaC18H20FN3O5
Molecular Weight377.37 g/mol
Exact Mass377.14
IUPAC Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate
SMILESO=C(COC(=O)C1CC(=O)Nc2cc(F)ccc21)NC(=O)NC1CCCC1
InChIInChI=1S/C18H20FN3O5/c19-10-5-6-12-13(8-15(23)21-14(12)7-10)17(25)27-9-16(24)22-18(26)20-11-3-1-2-4-11/h5-7,11,13H,1-4,8-9H2,(H,21,23)(H2,20,22,24,26)
InChIKeyFCVKCWAQUOHXGG-UHFFFAOYSA-N
XLogP1.56
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate?
The IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate (CID 46695916) is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate.
What is the SMILES notation for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate?
The canonical SMILES for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate is O=C(COC(=O)C1CC(=O)Nc2cc(F)ccc21)NC(=O)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate?
The InChIKey is FCVKCWAQUOHXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O5/c19-10-5-6-12-13(8-15(23)21-14(12)7-10)17(25)27-9-16(24)22-18(26)20-11-3-1-2-4-11/h5-7,11,13H,1-4,8-9H2,(H,21,23)(H2,20,22,24,26).
What are the key properties of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate?
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate has a molecular weight of 377.37 g/mol, XLogP of 1.56, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate is sourced from PubChem (CID 46695916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).