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

C18H20FN3O5 — CID 46695824

IUPAC[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate
SMILESNC(=O)C1CCN(C(=O)COC(=O)C2CC(=O)Nc3cc(F)ccc32)CC1
InChIInChI=1S/C18H20FN3O5/c19-11-1-2-12-13(8-15(23)21-14(12)7-11)18(26)27-9-16(24)22-5-3-10(4-6-22)17(20)25/h1-2,7,10,13H,3-6,8-9H2,(H2,20,25)(H,21,23)
InChIKeyDTXMWQBHLOQSIN-UHFFFAOYSA-N
MW377.37 g/mol
LogP0.52
Rot. Bonds4

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

[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate (PubChem CID 46695824) has the molecular formula C18H20FN3O5 and a molecular weight of 377.37 g/mol. Its IUPAC name is [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate
PubChem CID46695824
Molecular FormulaC18H20FN3O5
Molecular Weight377.37 g/mol
Exact Mass377.14
IUPAC Name[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate
SMILESNC(=O)C1CCN(C(=O)COC(=O)C2CC(=O)Nc3cc(F)ccc32)CC1
InChIInChI=1S/C18H20FN3O5/c19-11-1-2-12-13(8-15(23)21-14(12)7-11)18(26)27-9-16(24)22-5-3-10(4-6-22)17(20)25/h1-2,7,10,13H,3-6,8-9H2,(H2,20,25)(H,21,23)
InChIKeyDTXMWQBHLOQSIN-UHFFFAOYSA-N
XLogP0.52
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate with MolForge

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Related Compounds

[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate
CID 46695916
7-fluoro-4-(4-hydroxypiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 78843557
(4R)-4-(4-benzoylpiperidine-1-carbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 41310381
2-(2,6-dichlorophenoxy)ethyl 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate
CID 46696152
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate
CID 46696078
[4-(trifluoromethyl)phenyl]methyl 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate
CID 46696034
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-(2-bromo-4-fluorophenoxy)acetate
CID 8525807
3-(ethylcarbamoylamino)propyl 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate
CID 91642525
[2-[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate
CID 46695935
[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate
CID 46508106
[2-[benzyl(ethyl)amino]-2-oxoethyl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate
CID 46695717
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate
CID 46696120

Frequently Asked Questions

What is the IUPAC name of [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate?
The IUPAC name of [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate (CID 46695824) is [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate.
What is the SMILES notation for [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate?
The canonical SMILES for [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate is NC(=O)C1CCN(C(=O)COC(=O)C2CC(=O)Nc3cc(F)ccc32)CC1.
What is the InChIKey of [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate?
The InChIKey is DTXMWQBHLOQSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O5/c19-11-1-2-12-13(8-15(23)21-14(12)7-11)18(26)27-9-16(24)22-5-3-10(4-6-22)17(20)25/h1-2,7,10,13H,3-6,8-9H2,(H2,20,25)(H,21,23).
What are the key properties of [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate?
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate has a molecular weight of 377.37 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate is sourced from PubChem (CID 46695824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).