3-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]-1H-quinolin-2-one

C18H24N4O3S — CID 56759152

IUPAC3-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1CN1CCN(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C18H24N4O3S/c23-18-16(13-15-5-1-2-6-17(15)19-18)14-20-9-11-22(12-10-20)26(24,25)21-7-3-4-8-21/h1-2,5-6,13H,3-4,7-12,14H2,(H,19,23)
InChIKeyMDVLZXLEONLEBL-UHFFFAOYSA-N
MW376.48 g/mol
LogP0.99
Rot. Bonds4

About 3-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]-1H-quinolin-2-one

3-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]-1H-quinolin-2-one (PubChem CID 56759152) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is 3-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]-1H-quinolin-2-one
PubChem CID56759152
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Name3-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1CN1CCN(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C18H24N4O3S/c23-18-16(13-15-5-1-2-6-17(15)19-18)14-20-9-11-22(12-10-20)26(24,25)21-7-3-4-8-21/h1-2,5-6,13H,3-4,7-12,14H2,(H,19,23)
InChIKeyMDVLZXLEONLEBL-UHFFFAOYSA-N
XLogP0.99
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-benzoylpiperazin-1-yl)methyl]-1H-quinolin-2-one
CID 110362990
3-[[4-(2-ethylbutanoyl)piperazin-1-yl]methyl]-1H-quinolin-2-one
CID 110362987
3-[[4-(2-methylpropyl)-5-oxo-1,4-diazepan-1-yl]methyl]-1H-quinolin-2-one
CID 126464222
3-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]-1H-quinolin-2-one
CID 119138424
3-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
CID 110019820
3-[[4-(2-phenylethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-quinolin-2-one
CID 19970012
2-[(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)methyl]benzoic acid
CID 74238345
1-[(2-cyclopentyloxyphenyl)methyl]-4-piperidin-1-ylsulfonyl-1,4-diazepane
CID 131941541
1-[(2-oxo-1H-quinolin-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 166267205
1-[(2,3-difluorophenyl)methyl]-4-pyrrolidin-1-ylsulfonylpiperazine
CID 47023387
3-[[(1-benzylpiperidin-4-yl)amino]methyl]-1H-quinolin-2-one
CID 119136081
3-[[(3R)-3-(2,5-difluorobenzoyl)piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 95502220

Frequently Asked Questions

What is the IUPAC name of 3-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]-1H-quinolin-2-one?
The IUPAC name of 3-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]-1H-quinolin-2-one (CID 56759152) is 3-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]-1H-quinolin-2-one is O=c1[nH]c2ccccc2cc1CN1CCN(S(=O)(=O)N2CCCC2)CC1.
What is the InChIKey of 3-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]-1H-quinolin-2-one?
The InChIKey is MDVLZXLEONLEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c23-18-16(13-15-5-1-2-6-17(15)19-18)14-20-9-11-22(12-10-20)26(24,25)21-7-3-4-8-21/h1-2,5-6,13H,3-4,7-12,14H2,(H,19,23).
What are the key properties of 3-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]-1H-quinolin-2-one?
3-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]-1H-quinolin-2-one has a molecular weight of 376.48 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]-1H-quinolin-2-one is sourced from PubChem (CID 56759152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).