[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

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

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Launch Full Analysis

Related Compounds

N-cyclopropyl-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18136489
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate
CID 46695824
[4-(trifluoromethyl)phenyl]methyl 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate
CID 46696034
N-[2-(cyclopropylamino)-2-oxoethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18163943
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2634322
N-(4-aminocyclohexyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
CID 119475717
2-(2,6-dichlorophenoxy)ethyl 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate
CID 46696152
3-(ethylcarbamoylamino)propyl 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate
CID 91642525
(4R)-7-fluoro-N-(4-methylcyclohexyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 51484758
N-(1-amino-2-methylpropan-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
CID 119522411
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 9460662
[2-[benzyl(ethyl)amino]-2-oxoethyl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate
CID 46695717

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).