1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-one

C19H23N3O3S — CID 9183833

IUPAC1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-one
SMILESO=c1ccc(S(=O)(=O)N2CCCC2)cn1CN1CCc2ccccc2C1
InChIInChI=1S/C19H23N3O3S/c23-19-8-7-18(26(24,25)22-10-3-4-11-22)14-21(19)15-20-12-9-16-5-1-2-6-17(16)13-20/h1-2,5-8,14H,3-4,9-13,15H2
InChIKeyZIHSEOLBKHPKMC-UHFFFAOYSA-N
MW373.48 g/mol
LogP1.65
Rot. Bonds4

About 1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-one

1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-one (PubChem CID 9183833) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-one.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-one
PubChem CID9183833
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-one
SMILESO=c1ccc(S(=O)(=O)N2CCCC2)cn1CN1CCc2ccccc2C1
InChIInChI=1S/C19H23N3O3S/c23-19-8-7-18(26(24,25)22-10-3-4-11-22)14-21(19)15-20-12-9-16-5-1-2-6-17(16)13-20/h1-2,5-8,14H,3-4,9-13,15H2
InChIKeyZIHSEOLBKHPKMC-UHFFFAOYSA-N
XLogP1.65
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-morpholin-4-ylsulfonylpyridine-2-thione
CID 9183743
5-(azepan-1-ylsulfonyl)-1-benzylpyridin-2-one
CID 53170573
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
CID 33339009
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propan-2-ol
CID 133351262
N-(2-ethylphenyl)-2-(2-oxo-5-piperidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 53170607
N-butan-2-yl-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 53170604
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 55542982
1-(piperidin-4-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-one
CID 166239396
methyl 2-(2-oxo-5-piperidin-1-ylsulfonyl-1-pyridinyl)acetate
CID 53170566
1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-morpholin-4-ylsulfonylindole-2,3-dione
CID 4559425
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 4151787
1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)methyl]imidazolidin-2-one
CID 139526840

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-one?
The IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-one (CID 9183833) is 1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-one.
What is the SMILES notation for 1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-one?
The canonical SMILES for 1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-one is O=c1ccc(S(=O)(=O)N2CCCC2)cn1CN1CCc2ccccc2C1.
What is the InChIKey of 1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-one?
The InChIKey is ZIHSEOLBKHPKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c23-19-8-7-18(26(24,25)22-10-3-4-11-22)14-21(19)15-20-12-9-16-5-1-2-6-17(16)13-20/h1-2,5-8,14H,3-4,9-13,15H2.
What are the key properties of 1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-one?
1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-one has a molecular weight of 373.48 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-one is sourced from PubChem (CID 9183833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).