4-(2-butyl-4-methyl-3-oxopiperazine-1-carbonyl)-6-fluoro-1H-quinolin-2-one

C19H22FN3O3 — CID 70724503

IUPAC4-(2-butyl-4-methyl-3-oxopiperazine-1-carbonyl)-6-fluoro-1H-quinolin-2-one
SMILESCCCCC1C(=O)N(C)CCN1C(=O)c1cc(=O)[nH]c2ccc(F)cc12
InChIInChI=1S/C19H22FN3O3/c1-3-4-5-16-19(26)22(2)8-9-23(16)18(25)14-11-17(24)21-15-7-6-12(20)10-13(14)15/h6-7,10-11,16H,3-5,8-9H2,1-2H3,(H,21,24)
InChIKeyZTEWLNZVVVEJJE-UHFFFAOYSA-N
MW359.40 g/mol
LogP2.14
Rot. Bonds4

About 4-(2-butyl-4-methyl-3-oxopiperazine-1-carbonyl)-6-fluoro-1H-quinolin-2-one

4-(2-butyl-4-methyl-3-oxopiperazine-1-carbonyl)-6-fluoro-1H-quinolin-2-one (PubChem CID 70724503) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is 4-(2-butyl-4-methyl-3-oxopiperazine-1-carbonyl)-6-fluoro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(2-butyl-4-methyl-3-oxopiperazine-1-carbonyl)-6-fluoro-1H-quinolin-2-one
PubChem CID70724503
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC Name4-(2-butyl-4-methyl-3-oxopiperazine-1-carbonyl)-6-fluoro-1H-quinolin-2-one
SMILESCCCCC1C(=O)N(C)CCN1C(=O)c1cc(=O)[nH]c2ccc(F)cc12
InChIInChI=1S/C19H22FN3O3/c1-3-4-5-16-19(26)22(2)8-9-23(16)18(25)14-11-17(24)21-15-7-6-12(20)10-13(14)15/h6-7,10-11,16H,3-5,8-9H2,1-2H3,(H,21,24)
InChIKeyZTEWLNZVVVEJJE-UHFFFAOYSA-N
XLogP2.14
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(2S)-2-butyl-4-methyl-3-oxopiperazine-1-carbonyl]-4-chlorophenyl]acetamide
CID 95122588
3-(2-butyl-4-methyl-3-oxopiperazine-1-carbonyl)benzonitrile
CID 70741313
4-(3H-benzimidazole-5-carbonyl)-3-butyl-1-methylpiperazin-2-one
CID 70756865
6-fluoro-4-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-1H-quinolin-2-one
CID 70705153
3-butyl-4-(4-ethyl-5-methylthiophene-3-carbonyl)-1-methylpiperazin-2-one
CID 70783669
3-butyl-1-methyl-4-(1-methyl-3-propylpyrazole-5-carbonyl)piperazin-2-one
CID 70788238
(3S)-3-butyl-1-methyl-4-(quinoxaline-6-carbonyl)piperazin-2-one
CID 96571377
3-butyl-1-methyl-4-(3-pyrimidin-2-ylbenzoyl)piperazin-2-one
CID 118774662
(3S)-3-butyl-1-methyl-4-[4-(pyrrolidin-1-ylmethyl)benzoyl]piperazin-2-one
CID 97207797
1-(6-fluoro-2-oxo-1H-quinoline-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 56861198
3-butyl-4-[4-(2-methoxyphenyl)benzoyl]-1-methylpiperazin-2-one
CID 131897843
3-butyl-4-[(4-fluorophenyl)methylsulfonyl]-1-methylpiperazin-2-one
CID 70781565

Frequently Asked Questions

What is the IUPAC name of 4-(2-butyl-4-methyl-3-oxopiperazine-1-carbonyl)-6-fluoro-1H-quinolin-2-one?
The IUPAC name of 4-(2-butyl-4-methyl-3-oxopiperazine-1-carbonyl)-6-fluoro-1H-quinolin-2-one (CID 70724503) is 4-(2-butyl-4-methyl-3-oxopiperazine-1-carbonyl)-6-fluoro-1H-quinolin-2-one.
What is the SMILES notation for 4-(2-butyl-4-methyl-3-oxopiperazine-1-carbonyl)-6-fluoro-1H-quinolin-2-one?
The canonical SMILES for 4-(2-butyl-4-methyl-3-oxopiperazine-1-carbonyl)-6-fluoro-1H-quinolin-2-one is CCCCC1C(=O)N(C)CCN1C(=O)c1cc(=O)[nH]c2ccc(F)cc12.
What is the InChIKey of 4-(2-butyl-4-methyl-3-oxopiperazine-1-carbonyl)-6-fluoro-1H-quinolin-2-one?
The InChIKey is ZTEWLNZVVVEJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3/c1-3-4-5-16-19(26)22(2)8-9-23(16)18(25)14-11-17(24)21-15-7-6-12(20)10-13(14)15/h6-7,10-11,16H,3-5,8-9H2,1-2H3,(H,21,24).
What are the key properties of 4-(2-butyl-4-methyl-3-oxopiperazine-1-carbonyl)-6-fluoro-1H-quinolin-2-one?
4-(2-butyl-4-methyl-3-oxopiperazine-1-carbonyl)-6-fluoro-1H-quinolin-2-one has a molecular weight of 359.40 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butyl-4-methyl-3-oxopiperazine-1-carbonyl)-6-fluoro-1H-quinolin-2-one is sourced from PubChem (CID 70724503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).