4-(7-fluoro-3-oxo-4-phenylquinoxalin-2-yl)piperazine-1-carboxylic acid

C19H17FN4O3 — CID 143180225

IUPAC4-(7-fluoro-3-oxo-4-phenylquinoxalin-2-yl)piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(c2nc3cc(F)ccc3n(-c3ccccc3)c2=O)CC1
InChIInChI=1S/C19H17FN4O3/c20-13-6-7-16-15(12-13)21-17(22-8-10-23(11-9-22)19(26)27)18(25)24(16)14-4-2-1-3-5-14/h1-7,12H,8-11H2,(H,26,27)
InChIKeyFWJFMFHHFMJYIQ-UHFFFAOYSA-N
MW368.37 g/mol
LogP2.32
Rot. Bonds2

About 4-(7-fluoro-3-oxo-4-phenylquinoxalin-2-yl)piperazine-1-carboxylic acid

4-(7-fluoro-3-oxo-4-phenylquinoxalin-2-yl)piperazine-1-carboxylic acid (PubChem CID 143180225) has the molecular formula C19H17FN4O3 and a molecular weight of 368.37 g/mol. Its IUPAC name is 4-(7-fluoro-3-oxo-4-phenylquinoxalin-2-yl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(7-fluoro-3-oxo-4-phenylquinoxalin-2-yl)piperazine-1-carboxylic acid
PubChem CID143180225
Molecular FormulaC19H17FN4O3
Molecular Weight368.37 g/mol
Exact Mass368.13
IUPAC Name4-(7-fluoro-3-oxo-4-phenylquinoxalin-2-yl)piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(c2nc3cc(F)ccc3n(-c3ccccc3)c2=O)CC1
InChIInChI=1S/C19H17FN4O3/c20-13-6-7-16-15(12-13)21-17(22-8-10-23(11-9-22)19(26)27)18(25)24(16)14-4-2-1-3-5-14/h1-7,12H,8-11H2,(H,26,27)
InChIKeyFWJFMFHHFMJYIQ-UHFFFAOYSA-N
XLogP2.32
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(1-Cyclooctylpiperidin-4-yl)-3-oxoquinoxalin-2-yl]-methylamino]acetic acid
CID 59451188
1-Methyl-3-piperazin-1-ylquinoxalin-2-one
CID 12686399
2-[3-(diethylamino)-2-oxoquinoxalin-1-yl]-N-(2,4-difluorophenyl)acetamide
CID 2095650
3-{4-[2-(3-Fluorophenyl)acetyl]piperazin-1-YL}-1-methyl-1,2-dihydroquinoxalin-2-one
CID 53131459
3-[4-[2-(2-Fluorophenyl)acetyl]piperazin-1-yl]-1-methylquinoxalin-2-one
CID 53131470
1-[2-(Dimethylamino)ethyl]-3-piperazin-1-ylquinoxalin-2-one;hydrochloride
CID 54583691
1-[2-Oxo-2-(4-phenylpiperazin-1-yl)ethyl]quinoxalin-2-one
CID 8892714
1-Benzyl-3-[4-(2-ethylbutanoyl)piperazin-1-yl]quinoxalin-2-one
CID 50837341
1-Ethyl-3-(4-propanoylpiperazin-1-yl)quinoxalin-2-one
CID 50837376
3-(4-butyrylpiperazino)-1-ethyl-2(1H)-quinoxalinone
CID 50837390
1-Benzyl-3-(4-pentanoylpiperazin-1-yl)quinoxalin-2-one
CID 50837458
1-methyl-3-[4-(2-methylpentanoyl)piperazino]-2(1H)-quinoxalinone
CID 53131469

Frequently Asked Questions

What is the IUPAC name of 4-(7-fluoro-3-oxo-4-phenylquinoxalin-2-yl)piperazine-1-carboxylic acid?
The IUPAC name of 4-(7-fluoro-3-oxo-4-phenylquinoxalin-2-yl)piperazine-1-carboxylic acid (CID 143180225) is 4-(7-fluoro-3-oxo-4-phenylquinoxalin-2-yl)piperazine-1-carboxylic acid.
What is the SMILES notation for 4-(7-fluoro-3-oxo-4-phenylquinoxalin-2-yl)piperazine-1-carboxylic acid?
The canonical SMILES for 4-(7-fluoro-3-oxo-4-phenylquinoxalin-2-yl)piperazine-1-carboxylic acid is O=C(O)N1CCN(c2nc3cc(F)ccc3n(-c3ccccc3)c2=O)CC1.
What is the InChIKey of 4-(7-fluoro-3-oxo-4-phenylquinoxalin-2-yl)piperazine-1-carboxylic acid?
The InChIKey is FWJFMFHHFMJYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O3/c20-13-6-7-16-15(12-13)21-17(22-8-10-23(11-9-22)19(26)27)18(25)24(16)14-4-2-1-3-5-14/h1-7,12H,8-11H2,(H,26,27).
What are the key properties of 4-(7-fluoro-3-oxo-4-phenylquinoxalin-2-yl)piperazine-1-carboxylic acid?
4-(7-fluoro-3-oxo-4-phenylquinoxalin-2-yl)piperazine-1-carboxylic acid has a molecular weight of 368.37 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-fluoro-3-oxo-4-phenylquinoxalin-2-yl)piperazine-1-carboxylic acid is sourced from PubChem (CID 143180225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).