7-fluoro-3-[4-[2-(2-fluorophenyl)ethyl]piperazine-1-carbonyl]-1H-quinolin-2-one

C22H21F2N3O2 — CID 110608313

IUPAC7-fluoro-3-[4-[2-(2-fluorophenyl)ethyl]piperazine-1-carbonyl]-1H-quinolin-2-one
SMILESO=C(c1cc2ccc(F)cc2[nH]c1=O)N1CCN(CCc2ccccc2F)CC1
InChIInChI=1S/C22H21F2N3O2/c23-17-6-5-16-13-18(21(28)25-20(16)14-17)22(29)27-11-9-26(10-12-27)8-7-15-3-1-2-4-19(15)24/h1-6,13-14H,7-12H2,(H,25,28)
InChIKeyULMZVNAFDRMDQD-UHFFFAOYSA-N
MW397.43 g/mol
LogP2.81
Rot. Bonds4

About 7-fluoro-3-[4-[2-(2-fluorophenyl)ethyl]piperazine-1-carbonyl]-1H-quinolin-2-one

7-fluoro-3-[4-[2-(2-fluorophenyl)ethyl]piperazine-1-carbonyl]-1H-quinolin-2-one (PubChem CID 110608313) has the molecular formula C22H21F2N3O2 and a molecular weight of 397.43 g/mol. Its IUPAC name is 7-fluoro-3-[4-[2-(2-fluorophenyl)ethyl]piperazine-1-carbonyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-fluoro-3-[4-[2-(2-fluorophenyl)ethyl]piperazine-1-carbonyl]-1H-quinolin-2-one
PubChem CID110608313
Molecular FormulaC22H21F2N3O2
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC Name7-fluoro-3-[4-[2-(2-fluorophenyl)ethyl]piperazine-1-carbonyl]-1H-quinolin-2-one
SMILESO=C(c1cc2ccc(F)cc2[nH]c1=O)N1CCN(CCc2ccccc2F)CC1
InChIInChI=1S/C22H21F2N3O2/c23-17-6-5-16-13-18(21(28)25-20(16)14-17)22(29)27-11-9-26(10-12-27)8-7-15-3-1-2-4-19(15)24/h1-6,13-14H,7-12H2,(H,25,28)
InChIKeyULMZVNAFDRMDQD-UHFFFAOYSA-N
XLogP2.81
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-1-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]ethanone
CID 110412042
(4-fluorophenyl)-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]methanone
CID 110413339
(4-bromophenyl)-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]methanone
CID 113074261
7-fluoro-3-(3-phenoxypiperidine-1-carbonyl)-1H-quinolin-2-one
CID 110614922
7-fluoro-3-(2-methylmorpholine-4-carbonyl)-1H-quinolin-2-one
CID 110631278
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide
CID 110626280
[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 110412017
1-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-2-methylpropan-1-one
CID 110412011
[2-(dimethylamino)-3-pyridinyl]-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]methanone
CID 110411350
(3,4-dimethoxyphenyl)-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]methanone
CID 110412036
1-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 110804269
6-fluoro-3-[3-(hydroxymethyl)-3-phenylpiperidine-1-carbonyl]-1H-quinolin-2-one
CID 166251134

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[4-[2-(2-fluorophenyl)ethyl]piperazine-1-carbonyl]-1H-quinolin-2-one?
The IUPAC name of 7-fluoro-3-[4-[2-(2-fluorophenyl)ethyl]piperazine-1-carbonyl]-1H-quinolin-2-one (CID 110608313) is 7-fluoro-3-[4-[2-(2-fluorophenyl)ethyl]piperazine-1-carbonyl]-1H-quinolin-2-one.
What is the SMILES notation for 7-fluoro-3-[4-[2-(2-fluorophenyl)ethyl]piperazine-1-carbonyl]-1H-quinolin-2-one?
The canonical SMILES for 7-fluoro-3-[4-[2-(2-fluorophenyl)ethyl]piperazine-1-carbonyl]-1H-quinolin-2-one is O=C(c1cc2ccc(F)cc2[nH]c1=O)N1CCN(CCc2ccccc2F)CC1.
What is the InChIKey of 7-fluoro-3-[4-[2-(2-fluorophenyl)ethyl]piperazine-1-carbonyl]-1H-quinolin-2-one?
The InChIKey is ULMZVNAFDRMDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N3O2/c23-17-6-5-16-13-18(21(28)25-20(16)14-17)22(29)27-11-9-26(10-12-27)8-7-15-3-1-2-4-19(15)24/h1-6,13-14H,7-12H2,(H,25,28).
What are the key properties of 7-fluoro-3-[4-[2-(2-fluorophenyl)ethyl]piperazine-1-carbonyl]-1H-quinolin-2-one?
7-fluoro-3-[4-[2-(2-fluorophenyl)ethyl]piperazine-1-carbonyl]-1H-quinolin-2-one has a molecular weight of 397.43 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[4-[2-(2-fluorophenyl)ethyl]piperazine-1-carbonyl]-1H-quinolin-2-one is sourced from PubChem (CID 110608313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).