3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6,8-dimethyl-1H-quinolin-2-one

C22H22FN3O2 — CID 110295970

IUPAC3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6,8-dimethyl-1H-quinolin-2-one
SMILESCc1cc(C)c2[nH]c(=O)c(C(=O)N3CCN(c4ccccc4F)CC3)cc2c1
InChIInChI=1S/C22H22FN3O2/c1-14-11-15(2)20-16(12-14)13-17(21(27)24-20)22(28)26-9-7-25(8-10-26)19-6-4-3-5-18(19)23/h3-6,11-13H,7-10H2,1-2H3,(H,24,27)
InChIKeyUCULRZHEJGRVPU-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.25
Rot. Bonds2

About 3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6,8-dimethyl-1H-quinolin-2-one

3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6,8-dimethyl-1H-quinolin-2-one (PubChem CID 110295970) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is 3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6,8-dimethyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6,8-dimethyl-1H-quinolin-2-one
PubChem CID110295970
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC Name3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6,8-dimethyl-1H-quinolin-2-one
SMILESCc1cc(C)c2[nH]c(=O)c(C(=O)N3CCN(c4ccccc4F)CC3)cc2c1
InChIInChI=1S/C22H22FN3O2/c1-14-11-15(2)20-16(12-14)13-17(21(27)24-20)22(28)26-9-7-25(8-10-26)19-6-4-3-5-18(19)23/h3-6,11-13H,7-10H2,1-2H3,(H,24,27)
InChIKeyUCULRZHEJGRVPU-UHFFFAOYSA-N
XLogP3.25
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-dimethylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 925290
[4-(2-fluorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 808454
5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
CID 156586016
2-cyclopropyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 74242568
6-ethyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 74247706
[4-(2-fluorophenyl)piperazin-1-yl]-(2,4,5-trimethoxyphenyl)methanone
CID 1089294
(2-aminophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 3648748
3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methyl-8-(2,4,6-trimethylphenyl)-5,6-dihydroimidazo[1,2-a]pyrimidin-7-one
CID 46881390
[2-(4-fluorophenyl)-6-methylquinolin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 3286771
(2,4-dichlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 1332392
2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3H-quinazolin-4-one
CID 135908349
2-fluoro-6-[4-[6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carbonyl]piperazin-1-yl]benzonitrile
CID 55849864

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6,8-dimethyl-1H-quinolin-2-one?
The IUPAC name of 3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6,8-dimethyl-1H-quinolin-2-one (CID 110295970) is 3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6,8-dimethyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6,8-dimethyl-1H-quinolin-2-one?
The canonical SMILES for 3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6,8-dimethyl-1H-quinolin-2-one is Cc1cc(C)c2[nH]c(=O)c(C(=O)N3CCN(c4ccccc4F)CC3)cc2c1.
What is the InChIKey of 3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6,8-dimethyl-1H-quinolin-2-one?
The InChIKey is UCULRZHEJGRVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c1-14-11-15(2)20-16(12-14)13-17(21(27)24-20)22(28)26-9-7-25(8-10-26)19-6-4-3-5-18(19)23/h3-6,11-13H,7-10H2,1-2H3,(H,24,27).
What are the key properties of 3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6,8-dimethyl-1H-quinolin-2-one?
3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6,8-dimethyl-1H-quinolin-2-one has a molecular weight of 379.44 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6,8-dimethyl-1H-quinolin-2-one is sourced from PubChem (CID 110295970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).