(4R)-4-(4-benzoylpiperidine-1-carbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one

C22H21FN2O3 — CID 41310381

IUPAC(4R)-4-(4-benzoylpiperidine-1-carbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1C[C@@H](C(=O)N2CCC(C(=O)c3ccccc3)CC2)c2ccc(F)cc2N1
InChIInChI=1S/C22H21FN2O3/c23-16-6-7-17-18(13-20(26)24-19(17)12-16)22(28)25-10-8-15(9-11-25)21(27)14-4-2-1-3-5-14/h1-7,12,15,18H,8-11,13H2,(H,24,26)/t18-/m1/s1
InChIKeyCOOKZLMYTZEAHV-GOSISDBHSA-N
MW380.42 g/mol
LogP3.37
Rot. Bonds3

About (4R)-4-(4-benzoylpiperidine-1-carbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one

(4R)-4-(4-benzoylpiperidine-1-carbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one (PubChem CID 41310381) has the molecular formula C22H21FN2O3 and a molecular weight of 380.42 g/mol. Its IUPAC name is (4R)-4-(4-benzoylpiperidine-1-carbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name(4R)-4-(4-benzoylpiperidine-1-carbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
PubChem CID41310381
Molecular FormulaC22H21FN2O3
Molecular Weight380.42 g/mol
Exact Mass380.15
IUPAC Name(4R)-4-(4-benzoylpiperidine-1-carbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1C[C@@H](C(=O)N2CCC(C(=O)c3ccccc3)CC2)c2ccc(F)cc2N1
InChIInChI=1S/C22H21FN2O3/c23-16-6-7-17-18(13-20(26)24-19(17)12-16)22(28)25-10-8-15(9-11-25)21(27)14-4-2-1-3-5-14/h1-7,12,15,18H,8-11,13H2,(H,24,26)/t18-/m1/s1
InChIKeyCOOKZLMYTZEAHV-GOSISDBHSA-N
XLogP3.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R)-4-(4-benzoylpiperidine-1-carbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

7-fluoro-4-(4-hydroxypiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 78843557
7-fluoro-4-[4-(1-hydroxyethyl)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 111434115
1-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperidine-4-carboxylic acid
CID 119135688
4-[4-(3-chloro-2-pyridinyl)piperazine-1-carbonyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 87011022
(4R)-7-fluoro-4-[4-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 136801291
4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 46570584
7-fluoro-4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 119539545
(4R)-7-fluoro-4-[(3S)-3-(pyridin-2-ylmethoxy)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 96542496
(4R)-6-fluoro-4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 97113259
7-fluoro-4-[4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 78870079
4-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 120745314
(4S)-4-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 51647202

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-benzoylpiperidine-1-carbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of (4R)-4-(4-benzoylpiperidine-1-carbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one (CID 41310381) is (4R)-4-(4-benzoylpiperidine-1-carbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for (4R)-4-(4-benzoylpiperidine-1-carbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for (4R)-4-(4-benzoylpiperidine-1-carbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one is O=C1C[C@@H](C(=O)N2CCC(C(=O)c3ccccc3)CC2)c2ccc(F)cc2N1.
What is the InChIKey of (4R)-4-(4-benzoylpiperidine-1-carbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is COOKZLMYTZEAHV-GOSISDBHSA-N. The full InChI is InChI=1S/C22H21FN2O3/c23-16-6-7-17-18(13-20(26)24-19(17)12-16)22(28)25-10-8-15(9-11-25)21(27)14-4-2-1-3-5-14/h1-7,12,15,18H,8-11,13H2,(H,24,26)/t18-/m1/s1.
What are the key properties of (4R)-4-(4-benzoylpiperidine-1-carbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
(4R)-4-(4-benzoylpiperidine-1-carbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 380.42 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-benzoylpiperidine-1-carbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 41310381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).