6-fluoro-4-[4-(2-oxo-1H-pyrazin-3-yl)piperazine-1-carbonyl]-1H-quinolin-2-one

C18H16FN5O3 — CID 77081679

IUPAC6-fluoro-4-[4-(2-oxo-1H-pyrazin-3-yl)piperazine-1-carbonyl]-1H-quinolin-2-one
SMILESO=C(c1cc(=O)[nH]c2ccc(F)cc12)N1CCN(c2ncc[nH]c2=O)CC1
InChIInChI=1S/C18H16FN5O3/c19-11-1-2-14-12(9-11)13(10-15(25)22-14)18(27)24-7-5-23(6-8-24)16-17(26)21-4-3-20-16/h1-4,9-10H,5-8H2,(H,21,26)(H,22,25)
InChIKeyLXHWNFIAGWZBTL-UHFFFAOYSA-N
MW369.36 g/mol
LogP0.71
Rot. Bonds2

About 6-fluoro-4-[4-(2-oxo-1H-pyrazin-3-yl)piperazine-1-carbonyl]-1H-quinolin-2-one

6-fluoro-4-[4-(2-oxo-1H-pyrazin-3-yl)piperazine-1-carbonyl]-1H-quinolin-2-one (PubChem CID 77081679) has the molecular formula C18H16FN5O3 and a molecular weight of 369.36 g/mol. Its IUPAC name is 6-fluoro-4-[4-(2-oxo-1H-pyrazin-3-yl)piperazine-1-carbonyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-fluoro-4-[4-(2-oxo-1H-pyrazin-3-yl)piperazine-1-carbonyl]-1H-quinolin-2-one
PubChem CID77081679
Molecular FormulaC18H16FN5O3
Molecular Weight369.36 g/mol
Exact Mass369.12
IUPAC Name6-fluoro-4-[4-(2-oxo-1H-pyrazin-3-yl)piperazine-1-carbonyl]-1H-quinolin-2-one
SMILESO=C(c1cc(=O)[nH]c2ccc(F)cc12)N1CCN(c2ncc[nH]c2=O)CC1
InChIInChI=1S/C18H16FN5O3/c19-11-1-2-14-12(9-11)13(10-15(25)22-14)18(27)24-7-5-23(6-8-24)16-17(26)21-4-3-20-16/h1-4,9-10H,5-8H2,(H,21,26)(H,22,25)
InChIKeyLXHWNFIAGWZBTL-UHFFFAOYSA-N
XLogP0.71
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.36
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-[4-(2-oxo-1H-pyrazin-3-yl)piperazine-1-carbonyl]-1H-quinolin-2-one?
The IUPAC name of 6-fluoro-4-[4-(2-oxo-1H-pyrazin-3-yl)piperazine-1-carbonyl]-1H-quinolin-2-one (CID 77081679) is 6-fluoro-4-[4-(2-oxo-1H-pyrazin-3-yl)piperazine-1-carbonyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-fluoro-4-[4-(2-oxo-1H-pyrazin-3-yl)piperazine-1-carbonyl]-1H-quinolin-2-one?
The canonical SMILES for 6-fluoro-4-[4-(2-oxo-1H-pyrazin-3-yl)piperazine-1-carbonyl]-1H-quinolin-2-one is O=C(c1cc(=O)[nH]c2ccc(F)cc12)N1CCN(c2ncc[nH]c2=O)CC1.
What is the InChIKey of 6-fluoro-4-[4-(2-oxo-1H-pyrazin-3-yl)piperazine-1-carbonyl]-1H-quinolin-2-one?
The InChIKey is LXHWNFIAGWZBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O3/c19-11-1-2-14-12(9-11)13(10-15(25)22-14)18(27)24-7-5-23(6-8-24)16-17(26)21-4-3-20-16/h1-4,9-10H,5-8H2,(H,21,26)(H,22,25).
What are the key properties of 6-fluoro-4-[4-(2-oxo-1H-pyrazin-3-yl)piperazine-1-carbonyl]-1H-quinolin-2-one?
6-fluoro-4-[4-(2-oxo-1H-pyrazin-3-yl)piperazine-1-carbonyl]-1H-quinolin-2-one has a molecular weight of 369.36 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-[4-(2-oxo-1H-pyrazin-3-yl)piperazine-1-carbonyl]-1H-quinolin-2-one is sourced from PubChem (CID 77081679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).