4-[3-[(2R)-2-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]sulfonylpiperazin-2-one

C23H27N3O4S — CID 97013377

IUPAC4-[3-[(2R)-2-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]sulfonylpiperazin-2-one
SMILESCC(C)[C@H]1CCc2ccccc2N1C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1
InChIInChI=1S/C23H27N3O4S/c1-16(2)20-11-10-17-6-3-4-9-21(17)26(20)23(28)18-7-5-8-19(14-18)31(29,30)25-13-12-24-22(27)15-25/h3-9,14,16,20H,10-13,15H2,1-2H3,(H,24,27)/t20-/m1/s1
InChIKeySEPGHYKLSMLIDY-HXUWFJFHSA-N
MW441.55 g/mol
LogP2.42
Rot. Bonds4

About 4-[3-[(2R)-2-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]sulfonylpiperazin-2-one

4-[3-[(2R)-2-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]sulfonylpiperazin-2-one (PubChem CID 97013377) has the molecular formula C23H27N3O4S and a molecular weight of 441.55 g/mol. Its IUPAC name is 4-[3-[(2R)-2-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]sulfonylpiperazin-2-one.

Molecular Properties

Compound Name4-[3-[(2R)-2-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]sulfonylpiperazin-2-one
PubChem CID97013377
Molecular FormulaC23H27N3O4S
Molecular Weight441.55 g/mol
Exact Mass441.17
IUPAC Name4-[3-[(2R)-2-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]sulfonylpiperazin-2-one
SMILESCC(C)[C@H]1CCc2ccccc2N1C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1
InChIInChI=1S/C23H27N3O4S/c1-16(2)20-11-10-17-6-3-4-9-21(17)26(20)23(28)18-7-5-8-19(14-18)31(29,30)25-13-12-24-22(27)15-25/h3-9,14,16,20H,10-13,15H2,1-2H3,(H,24,27)/t20-/m1/s1
InChIKeySEPGHYKLSMLIDY-HXUWFJFHSA-N
XLogP2.42
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[3-[(2R)-2-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]sulfonylpiperazin-2-one with MolForge

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Related Compounds

4-[3-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]sulfonylpiperazin-2-one
CID 39977453
N-(3-methylbutan-2-yl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 43053331
4-[3-[2-(aminomethyl)piperidine-1-carbonyl]phenyl]sulfonylpiperazin-2-one
CID 119469574
4-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-2-one;hydrochloride
CID 120815087
4-[3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]sulfonylpiperazin-2-one
CID 31845700
N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 55594894
4-[3-(1,4-diazepane-1-carbonyl)phenyl]sulfonylpiperazin-2-one
CID 119418489
(4-methoxyphenyl) 3-(3-oxopiperazin-1-yl)sulfonylbenzoate
CID 30783557
(2-methyl-2,3-dihydroindol-1-yl)-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 109063460
(2-chlorophenyl) 3-(3-oxopiperazin-1-yl)sulfonylbenzoate
CID 134062109
4-[3-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]phenyl]sulfonylpiperazin-2-one
CID 37355621
4-[3-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carbonyl]phenyl]sulfonylpiperazin-2-one
CID 55753901

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2R)-2-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]sulfonylpiperazin-2-one?
The IUPAC name of 4-[3-[(2R)-2-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]sulfonylpiperazin-2-one (CID 97013377) is 4-[3-[(2R)-2-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]sulfonylpiperazin-2-one.
What is the SMILES notation for 4-[3-[(2R)-2-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]sulfonylpiperazin-2-one?
The canonical SMILES for 4-[3-[(2R)-2-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]sulfonylpiperazin-2-one is CC(C)[C@H]1CCc2ccccc2N1C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1.
What is the InChIKey of 4-[3-[(2R)-2-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]sulfonylpiperazin-2-one?
The InChIKey is SEPGHYKLSMLIDY-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H27N3O4S/c1-16(2)20-11-10-17-6-3-4-9-21(17)26(20)23(28)18-7-5-8-19(14-18)31(29,30)25-13-12-24-22(27)15-25/h3-9,14,16,20H,10-13,15H2,1-2H3,(H,24,27)/t20-/m1/s1.
What are the key properties of 4-[3-[(2R)-2-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]sulfonylpiperazin-2-one?
4-[3-[(2R)-2-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]sulfonylpiperazin-2-one has a molecular weight of 441.55 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2R)-2-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]sulfonylpiperazin-2-one is sourced from PubChem (CID 97013377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).