4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one

C21H20FN3O3 — CID 46570584

IUPAC4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CC(C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)c2ccccc2N1
InChIInChI=1S/C21H20FN3O3/c22-15-7-5-14(6-8-15)20(27)24-9-11-25(12-10-24)21(28)17-13-19(26)23-18-4-2-1-3-16(17)18/h1-8,17H,9-13H2,(H,23,26)
InChIKeyWBOVZSJECMFHIM-UHFFFAOYSA-N
MW381.41 g/mol
LogP2.24
Rot. Bonds2

About 4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one

4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 46570584) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is 4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID46570584
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC Name4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CC(C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)c2ccccc2N1
InChIInChI=1S/C21H20FN3O3/c22-15-7-5-14(6-8-15)20(27)24-9-11-25(12-10-24)21(28)17-13-19(26)23-18-4-2-1-3-16(17)18/h1-8,17H,9-13H2,(H,23,26)
InChIKeyWBOVZSJECMFHIM-UHFFFAOYSA-N
XLogP2.24
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-[4-(2,5-difluorophenyl)sulfonylpiperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 25469157
(4S)-4-(4-tert-butylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 95578987
4-(4-methyl-1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 78835890
4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 56816786
4-[4-[(3,5-difluorophenyl)methyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 154864575
4-hydroxy-1-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperidine-4-carboxylic acid
CID 119251146
4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 111561306
(4R)-4-(4-benzoylpiperidine-1-carbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 41310381
7-fluoro-4-(4-hydroxypiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 78843557
(4R)-6-fluoro-4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 97113259
N,N-diethyl-2-[4-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperazin-1-yl]acetamide
CID 55507256
4-(2,6-dimethylmorpholine-4-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 42933274

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one (CID 46570584) is 4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one is O=C1CC(C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)c2ccccc2N1.
What is the InChIKey of 4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is WBOVZSJECMFHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c22-15-7-5-14(6-8-15)20(27)24-9-11-25(12-10-24)21(28)17-13-19(26)23-18-4-2-1-3-16(17)18/h1-8,17H,9-13H2,(H,23,26).
What are the key properties of 4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 381.41 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 46570584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).