6-[2-(4-phenylpiperazine-1-carbonyl)pyrrolidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one

C24H28N4O4S — CID 5308965

IUPAC6-[2-(4-phenylpiperazine-1-carbonyl)pyrrolidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(S(=O)(=O)N3CCCC3C(=O)N3CCN(c4ccccc4)CC3)ccc2N1
InChIInChI=1S/C24H28N4O4S/c29-23-11-8-18-17-20(9-10-21(18)25-23)33(31,32)28-12-4-7-22(28)24(30)27-15-13-26(14-16-27)19-5-2-1-3-6-19/h1-3,5-6,9-10,17,22H,4,7-8,11-16H2,(H,25,29)
InChIKeyHMWRUTIRDGITNQ-UHFFFAOYSA-N
MW468.58 g/mol
LogP2.07
Rot. Bonds4

About 6-[2-(4-phenylpiperazine-1-carbonyl)pyrrolidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one

6-[2-(4-phenylpiperazine-1-carbonyl)pyrrolidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 5308965) has the molecular formula C24H28N4O4S and a molecular weight of 468.58 g/mol. Its IUPAC name is 6-[2-(4-phenylpiperazine-1-carbonyl)pyrrolidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-(4-phenylpiperazine-1-carbonyl)pyrrolidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
PubChem CID5308965
Molecular FormulaC24H28N4O4S
Molecular Weight468.58 g/mol
Exact Mass468.18
IUPAC Name6-[2-(4-phenylpiperazine-1-carbonyl)pyrrolidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(S(=O)(=O)N3CCCC3C(=O)N3CCN(c4ccccc4)CC3)ccc2N1
InChIInChI=1S/C24H28N4O4S/c29-23-11-8-18-17-20(9-10-21(18)25-23)33(31,32)28-12-4-7-22(28)24(30)27-15-13-26(14-16-27)19-5-2-1-3-6-19/h1-3,5-6,9-10,17,22H,4,7-8,11-16H2,(H,25,29)
InChIKeyHMWRUTIRDGITNQ-UHFFFAOYSA-N
XLogP2.07
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[2-(4-phenylpiperazine-1-carbonyl)pyrrolidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 3656150
N-(3-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 7066682
N-cyclohexyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 3647908
11-oxo-N-phenyl-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-triene-6-sulfonamide
CID 7526462
N-(2-methylpropyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide
CID 7527121
6-(4-propylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 8518042
2-[[4-(2-Oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-phenylpropanamide
CID 2973406
6-{[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl}-3,4-dihydroquinolin-2(1H)-one
CID 3241799
6-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}-3,4-dihydroquinolin-2(1H)-one
CID 3245003
N-(3-ethylphenyl)-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 6621438
N-[2-(dipropylamino)ethyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide
CID 3245121
1-[4-(1,2,3,4-Tetrahydroquinolylsulfonyl)phenyl]pyrrolidin-2-one
CID 8822251

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-phenylpiperazine-1-carbonyl)pyrrolidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[2-(4-phenylpiperazine-1-carbonyl)pyrrolidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one (CID 5308965) is 6-[2-(4-phenylpiperazine-1-carbonyl)pyrrolidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-(4-phenylpiperazine-1-carbonyl)pyrrolidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[2-(4-phenylpiperazine-1-carbonyl)pyrrolidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(S(=O)(=O)N3CCCC3C(=O)N3CCN(c4ccccc4)CC3)ccc2N1.
What is the InChIKey of 6-[2-(4-phenylpiperazine-1-carbonyl)pyrrolidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is HMWRUTIRDGITNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4S/c29-23-11-8-18-17-20(9-10-21(18)25-23)33(31,32)28-12-4-7-22(28)24(30)27-15-13-26(14-16-27)19-5-2-1-3-6-19/h1-3,5-6,9-10,17,22H,4,7-8,11-16H2,(H,25,29).
What are the key properties of 6-[2-(4-phenylpiperazine-1-carbonyl)pyrrolidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one?
6-[2-(4-phenylpiperazine-1-carbonyl)pyrrolidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 468.58 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-phenylpiperazine-1-carbonyl)pyrrolidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 5308965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).