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

C18H18N6O3S — CID 126945683

IUPAC1-[1-(1-quinolin-8-ylsulfonylazetidin-3-yl)pyrazol-4-yl]imidazolidin-2-one
SMILESO=C1NCCN1c1cnn(C2CN(S(=O)(=O)c3cccc4cccnc34)C2)c1
InChIInChI=1S/C18H18N6O3S/c25-18-20-7-8-23(18)14-9-21-24(12-14)15-10-22(11-15)28(26,27)16-5-1-3-13-4-2-6-19-17(13)16/h1-6,9,12,15H,7-8,10-11H2,(H,20,25)
InChIKeySPVDLNWUESKCFL-UHFFFAOYSA-N
MW398.45 g/mol
LogP1.21
Rot. Bonds4

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

1-[1-(1-quinolin-8-ylsulfonylazetidin-3-yl)pyrazol-4-yl]imidazolidin-2-one (PubChem CID 126945683) has the molecular formula C18H18N6O3S and a molecular weight of 398.45 g/mol. Its IUPAC name is 1-[1-(1-quinolin-8-ylsulfonylazetidin-3-yl)pyrazol-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-(1-quinolin-8-ylsulfonylazetidin-3-yl)pyrazol-4-yl]imidazolidin-2-one
PubChem CID126945683
Molecular FormulaC18H18N6O3S
Molecular Weight398.45 g/mol
Exact Mass398.12
IUPAC Name1-[1-(1-quinolin-8-ylsulfonylazetidin-3-yl)pyrazol-4-yl]imidazolidin-2-one
SMILESO=C1NCCN1c1cnn(C2CN(S(=O)(=O)c3cccc4cccnc34)C2)c1
InChIInChI=1S/C18H18N6O3S/c25-18-20-7-8-23(18)14-9-21-24(12-14)15-10-22(11-15)28(26,27)16-5-1-3-13-4-2-6-19-17(13)16/h1-6,9,12,15H,7-8,10-11H2,(H,20,25)
InChIKeySPVDLNWUESKCFL-UHFFFAOYSA-N
XLogP1.21
TPSA100.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.45
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-3-[1-(1-quinolin-8-ylsulfonylazetidin-3-yl)pyrazol-4-yl]imidazolidin-2-one
CID 126946023
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
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
(3R)-1-quinolin-8-ylsulfonylpyrrolidin-3-amine
CID 119962398
1-[1-[1-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126945833
1-[1-[1-[(3,5-difluorophenyl)methyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126945908
8-(2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylsulfonyl)quinoline;hydrochloride
CID 146468960

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-quinolin-8-ylsulfonylazetidin-3-yl)pyrazol-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-(1-quinolin-8-ylsulfonylazetidin-3-yl)pyrazol-4-yl]imidazolidin-2-one (CID 126945683) is 1-[1-(1-quinolin-8-ylsulfonylazetidin-3-yl)pyrazol-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-(1-quinolin-8-ylsulfonylazetidin-3-yl)pyrazol-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-(1-quinolin-8-ylsulfonylazetidin-3-yl)pyrazol-4-yl]imidazolidin-2-one is O=C1NCCN1c1cnn(C2CN(S(=O)(=O)c3cccc4cccnc34)C2)c1.
What is the InChIKey of 1-[1-(1-quinolin-8-ylsulfonylazetidin-3-yl)pyrazol-4-yl]imidazolidin-2-one?
The InChIKey is SPVDLNWUESKCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O3S/c25-18-20-7-8-23(18)14-9-21-24(12-14)15-10-22(11-15)28(26,27)16-5-1-3-13-4-2-6-19-17(13)16/h1-6,9,12,15H,7-8,10-11H2,(H,20,25).
What are the key properties of 1-[1-(1-quinolin-8-ylsulfonylazetidin-3-yl)pyrazol-4-yl]imidazolidin-2-one?
1-[1-(1-quinolin-8-ylsulfonylazetidin-3-yl)pyrazol-4-yl]imidazolidin-2-one has a molecular weight of 398.45 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-quinolin-8-ylsulfonylazetidin-3-yl)pyrazol-4-yl]imidazolidin-2-one is sourced from PubChem (CID 126945683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).