1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxamide

C16H19FN4O2 — CID 166276301

IUPAC1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxamide
SMILESCCn1cc(C(N)=O)c(=O)c2cc(F)c(N3CCNCC3)cc21
InChIInChI=1S/C16H19FN4O2/c1-2-20-9-11(16(18)23)15(22)10-7-12(17)14(8-13(10)20)21-5-3-19-4-6-21/h7-9,19H,2-6H2,1H3,(H2,18,23)
InChIKeyGHBOVDRRVTYVND-UHFFFAOYSA-N
MW318.35 g/mol
LogP0.67
Rot. Bonds3

About 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxamide

1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxamide (PubChem CID 166276301) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxamide
PubChem CID166276301
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC Name1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxamide
SMILESCCn1cc(C(N)=O)c(=O)c2cc(F)c(N3CCNCC3)cc21
InChIInChI=1S/C16H19FN4O2/c1-2-20-9-11(16(18)23)15(22)10-7-12(17)14(8-13(10)20)21-5-3-19-4-6-21/h7-9,19H,2-6H2,1H3,(H2,18,23)
InChIKeyGHBOVDRRVTYVND-UHFFFAOYSA-N
XLogP0.67
TPSA80.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;2-(1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinolin-3-yl)-2-oxoacetic acid
CID 144699505
1-ethyl-6-fluoro-N-(2-hydroxyethyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxamide
CID 10959389
1,1-dimethoxyethane;1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
CID 67896152
N-butan-2-yl-1-ethyl-6-fluoro-N-methyl-4-oxo-7-piperazin-1-ylquinoline-3-carboxamide
CID 166276124
N-cyclopropyl-N,1-diethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxamide
CID 166276093
N-cyclobutyl-1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxamide
CID 167928051
1-ethyl-6-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-4-oxo-7-piperazin-1-ylquinoline-3-carboxamide
CID 167938737
1-ethyl-6-fluoro-N-[(2S,3S)-3-hydroxybutan-2-yl]-4-oxo-7-piperazin-1-ylquinoline-3-carboxamide
CID 167971792
N-(cyclopropylmethyl)-1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxamide
CID 167777571
1-ethyl-6-fluoro-N-[(2S)-1-hydroxypropan-2-yl]-4-oxo-7-piperazin-1-ylquinoline-3-carboxamide
CID 167804333
1-ethyl-4-oxo-6,7-di(piperazin-1-yl)quinoline-3-carboxylic acid
CID 15797326
7-(azepan-1-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 30380123

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxamide?
The IUPAC name of 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxamide (CID 166276301) is 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxamide.
What is the SMILES notation for 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxamide?
The canonical SMILES for 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxamide is CCn1cc(C(N)=O)c(=O)c2cc(F)c(N3CCNCC3)cc21.
What is the InChIKey of 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxamide?
The InChIKey is GHBOVDRRVTYVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c1-2-20-9-11(16(18)23)15(22)10-7-12(17)14(8-13(10)20)21-5-3-19-4-6-21/h7-9,19H,2-6H2,1H3,(H2,18,23).
What are the key properties of 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxamide?
1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxamide has a molecular weight of 318.35 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxamide is sourced from PubChem (CID 166276301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).