1-methyl-3-[1-(1-quinolin-8-ylsulfonylazetidin-3-yl)pyrazol-4-yl]imidazolidin-2-one

C19H20N6O3S — CID 126946023

IUPAC1-methyl-3-[1-(1-quinolin-8-ylsulfonylazetidin-3-yl)pyrazol-4-yl]imidazolidin-2-one
SMILESCN1CCN(c2cnn(C3CN(S(=O)(=O)c4cccc5cccnc45)C3)c2)C1=O
InChIInChI=1S/C19H20N6O3S/c1-22-8-9-24(19(22)26)15-10-21-25(13-15)16-11-23(12-16)29(27,28)17-6-2-4-14-5-3-7-20-18(14)17/h2-7,10,13,16H,8-9,11-12H2,1H3
InChIKeyRKVOYGSSDUVUKZ-UHFFFAOYSA-N
MW412.48 g/mol
LogP1.55
Rot. Bonds4

About 1-methyl-3-[1-(1-quinolin-8-ylsulfonylazetidin-3-yl)pyrazol-4-yl]imidazolidin-2-one

1-methyl-3-[1-(1-quinolin-8-ylsulfonylazetidin-3-yl)pyrazol-4-yl]imidazolidin-2-one (PubChem CID 126946023) has the molecular formula C19H20N6O3S and a molecular weight of 412.48 g/mol. Its IUPAC name is 1-methyl-3-[1-(1-quinolin-8-ylsulfonylazetidin-3-yl)pyrazol-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-[1-(1-quinolin-8-ylsulfonylazetidin-3-yl)pyrazol-4-yl]imidazolidin-2-one
PubChem CID126946023
Molecular FormulaC19H20N6O3S
Molecular Weight412.48 g/mol
Exact Mass412.13
IUPAC Name1-methyl-3-[1-(1-quinolin-8-ylsulfonylazetidin-3-yl)pyrazol-4-yl]imidazolidin-2-one
SMILESCN1CCN(c2cnn(C3CN(S(=O)(=O)c4cccc5cccnc45)C3)c2)C1=O
InChIInChI=1S/C19H20N6O3S/c1-22-8-9-24(19(22)26)15-10-21-25(13-15)16-11-23(12-16)29(27,28)17-6-2-4-14-5-3-7-20-18(14)17/h2-7,10,13,16H,8-9,11-12H2,1H3
InChIKeyRKVOYGSSDUVUKZ-UHFFFAOYSA-N
XLogP1.55
TPSA91.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.48
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(1-quinolin-8-ylsulfonylazetidin-3-yl)pyrazol-4-yl]imidazolidin-2-one
CID 126945683
1-(1-quinolin-8-ylsulfonylazetidin-3-yl)pyrazole-4-carbonitrile
CID 126900569
1-(1-quinolin-8-ylsulfonylazetidin-3-yl)pyrazole-4-carboxamide
CID 126900938
1-(1-quinolin-8-ylsulfonylpyrrolidin-3-yl)pyrazole-4-carboxamide
CID 126947951
8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline
CID 4173018
1-methyl-3-[1-[1-(2-piperidin-1-ylethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126946062
8-(4-pyrrol-1-ylpiperidin-1-yl)sulfonylquinoline
CID 2809715
8-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)quinoline
CID 22202524
8-piperidin-1-ylsulfonylquinoline
CID 768759
1-methyl-3-[1-[1-(2-methylpyrido[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126948852
1-[1-[1-[(2-methoxypyrimidin-4-yl)methyl]azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
CID 126946146
(3R)-1-quinolin-8-ylsulfonylpyrrolidin-3-amine
CID 119962398

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[1-(1-quinolin-8-ylsulfonylazetidin-3-yl)pyrazol-4-yl]imidazolidin-2-one?
The IUPAC name of 1-methyl-3-[1-(1-quinolin-8-ylsulfonylazetidin-3-yl)pyrazol-4-yl]imidazolidin-2-one (CID 126946023) is 1-methyl-3-[1-(1-quinolin-8-ylsulfonylazetidin-3-yl)pyrazol-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-methyl-3-[1-(1-quinolin-8-ylsulfonylazetidin-3-yl)pyrazol-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-methyl-3-[1-(1-quinolin-8-ylsulfonylazetidin-3-yl)pyrazol-4-yl]imidazolidin-2-one is CN1CCN(c2cnn(C3CN(S(=O)(=O)c4cccc5cccnc45)C3)c2)C1=O.
What is the InChIKey of 1-methyl-3-[1-(1-quinolin-8-ylsulfonylazetidin-3-yl)pyrazol-4-yl]imidazolidin-2-one?
The InChIKey is RKVOYGSSDUVUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3S/c1-22-8-9-24(19(22)26)15-10-21-25(13-15)16-11-23(12-16)29(27,28)17-6-2-4-14-5-3-7-20-18(14)17/h2-7,10,13,16H,8-9,11-12H2,1H3.
What are the key properties of 1-methyl-3-[1-(1-quinolin-8-ylsulfonylazetidin-3-yl)pyrazol-4-yl]imidazolidin-2-one?
1-methyl-3-[1-(1-quinolin-8-ylsulfonylazetidin-3-yl)pyrazol-4-yl]imidazolidin-2-one has a molecular weight of 412.48 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[1-(1-quinolin-8-ylsulfonylazetidin-3-yl)pyrazol-4-yl]imidazolidin-2-one is sourced from PubChem (CID 126946023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).