(4R)-4-[4-(2,5-difluorophenyl)sulfonylpiperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one

C20H19F2N3O4S — CID 25469157

IUPAC(4R)-4-[4-(2,5-difluorophenyl)sulfonylpiperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)c2ccccc2N1
InChIInChI=1S/C20H19F2N3O4S/c21-13-5-6-16(22)18(11-13)30(28,29)25-9-7-24(8-10-25)20(27)15-12-19(26)23-17-4-2-1-3-14(15)17/h1-6,11,15H,7-10,12H2,(H,23,26)/t15-/m1/s1
InChIKeyOGONTRAAZYXYTR-OAHLLOKOSA-N
MW435.45 g/mol
LogP1.92
Rot. Bonds3

About (4R)-4-[4-(2,5-difluorophenyl)sulfonylpiperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one

(4R)-4-[4-(2,5-difluorophenyl)sulfonylpiperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 25469157) has the molecular formula C20H19F2N3O4S and a molecular weight of 435.45 g/mol. Its IUPAC name is (4R)-4-[4-(2,5-difluorophenyl)sulfonylpiperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name(4R)-4-[4-(2,5-difluorophenyl)sulfonylpiperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID25469157
Molecular FormulaC20H19F2N3O4S
Molecular Weight435.45 g/mol
Exact Mass435.11
IUPAC Name(4R)-4-[4-(2,5-difluorophenyl)sulfonylpiperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)c2ccccc2N1
InChIInChI=1S/C20H19F2N3O4S/c21-13-5-6-16(22)18(11-13)30(28,29)25-9-7-24(8-10-25)20(27)15-12-19(26)23-17-4-2-1-3-14(15)17/h1-6,11,15H,7-10,12H2,(H,23,26)/t15-/m1/s1
InChIKeyOGONTRAAZYXYTR-OAHLLOKOSA-N
XLogP1.92
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.45
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R)-4-[4-(2,5-difluorophenyl)sulfonylpiperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 55558546
4-[4-[(3,5-difluorophenyl)methyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 154864575
cyclohexyl-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 9370793
7-fluoro-4-(4-hydroxypiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 78843557
4-(4-methyl-1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 78835890
1-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperidine-4-carboxylic acid
CID 119135688
(4R)-6-fluoro-4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 97113259
4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 56816786
(4R)-4-(4-benzoylpiperidine-1-carbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 41310381
4-hydroxy-1-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperidine-4-carboxylic acid
CID 119251146
[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 41275092
4-[4-(3-chloro-2-pyridinyl)piperazine-1-carbonyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 87011022

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[4-(2,5-difluorophenyl)sulfonylpiperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of (4R)-4-[4-(2,5-difluorophenyl)sulfonylpiperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one (CID 25469157) is (4R)-4-[4-(2,5-difluorophenyl)sulfonylpiperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for (4R)-4-[4-(2,5-difluorophenyl)sulfonylpiperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for (4R)-4-[4-(2,5-difluorophenyl)sulfonylpiperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one is O=C1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)c2ccccc2N1.
What is the InChIKey of (4R)-4-[4-(2,5-difluorophenyl)sulfonylpiperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is OGONTRAAZYXYTR-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H19F2N3O4S/c21-13-5-6-16(22)18(11-13)30(28,29)25-9-7-24(8-10-25)20(27)15-12-19(26)23-17-4-2-1-3-14(15)17/h1-6,11,15H,7-10,12H2,(H,23,26)/t15-/m1/s1.
What are the key properties of (4R)-4-[4-(2,5-difluorophenyl)sulfonylpiperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
(4R)-4-[4-(2,5-difluorophenyl)sulfonylpiperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 435.45 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[4-(2,5-difluorophenyl)sulfonylpiperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 25469157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).