(4R)-6-fluoro-4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one

C21H21FN2O3 — CID 97113259

IUPAC(4R)-6-fluoro-4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1C[C@@H](C(=O)N2CCC(O)(c3ccccc3)CC2)c2cc(F)ccc2N1
InChIInChI=1S/C21H21FN2O3/c22-15-6-7-18-16(12-15)17(13-19(25)23-18)20(26)24-10-8-21(27,9-11-24)14-4-2-1-3-5-14/h1-7,12,17,27H,8-11,13H2,(H,23,25)/t17-/m1/s1
InChIKeyHNPVGOUWRBEVLX-QGZVFWFLSA-N
MW368.41 g/mol
LogP2.76
Rot. Bonds2

About (4R)-6-fluoro-4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one

(4R)-6-fluoro-4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 97113259) has the molecular formula C21H21FN2O3 and a molecular weight of 368.41 g/mol. Its IUPAC name is (4R)-6-fluoro-4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name(4R)-6-fluoro-4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID97113259
Molecular FormulaC21H21FN2O3
Molecular Weight368.41 g/mol
Exact Mass368.15
IUPAC Name(4R)-6-fluoro-4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1C[C@@H](C(=O)N2CCC(O)(c3ccccc3)CC2)c2cc(F)ccc2N1
InChIInChI=1S/C21H21FN2O3/c22-15-6-7-18-16(12-15)17(13-19(25)23-18)20(26)24-10-8-21(27,9-11-24)14-4-2-1-3-5-14/h1-7,12,17,27H,8-11,13H2,(H,23,25)/t17-/m1/s1
InChIKeyHNPVGOUWRBEVLX-QGZVFWFLSA-N
XLogP2.76
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4R)-6-fluoro-4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

2-ethyl-8-(6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70704944
(4S)-6-fluoro-4-(4-pyridin-4-ylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 97130056
4-hydroxy-1-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperidine-4-carboxylic acid
CID 119251146
4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 46570584
(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)-4-[4-(2,5-difluorophenyl)sulfonylpiperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 25469157
(4S)-6-fluoro-4-[4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 97119608
6-fluoro-2-oxo-N-(3-phenylpiperidin-1-yl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 91298421
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
4-[4-[(3,5-difluorophenyl)methyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 154864575

Frequently Asked Questions

What is the IUPAC name of (4R)-6-fluoro-4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of (4R)-6-fluoro-4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one (CID 97113259) is (4R)-6-fluoro-4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for (4R)-6-fluoro-4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for (4R)-6-fluoro-4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one is O=C1C[C@@H](C(=O)N2CCC(O)(c3ccccc3)CC2)c2cc(F)ccc2N1.
What is the InChIKey of (4R)-6-fluoro-4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is HNPVGOUWRBEVLX-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H21FN2O3/c22-15-6-7-18-16(12-15)17(13-19(25)23-18)20(26)24-10-8-21(27,9-11-24)14-4-2-1-3-5-14/h1-7,12,17,27H,8-11,13H2,(H,23,25)/t17-/m1/s1.
What are the key properties of (4R)-6-fluoro-4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
(4R)-6-fluoro-4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 368.41 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-fluoro-4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 97113259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).