8-[(1R)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-(3-fluorophenyl)sulfonylquinoline

C20H18FN3O2S — CID 118936589

IUPAC8-[(1R)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-(3-fluorophenyl)sulfonylquinoline
SMILESO=S(=O)(c1cccc(F)c1)c1cnc2c(N3CC4NC[C@@H]4C3)cccc2c1
InChIInChI=1S/C20H18FN3O2S/c21-15-4-2-5-16(8-15)27(25,26)17-7-13-3-1-6-19(20(13)23-10-17)24-11-14-9-22-18(14)12-24/h1-8,10,14,18,22H,9,11-12H2/t14-,18?/m1/s1
InChIKeyJWPVCEUOTFEVGV-IKJXHCRLSA-N
MW383.45 g/mol
LogP2.61
Rot. Bonds3

About 8-[(1R)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-(3-fluorophenyl)sulfonylquinoline

8-[(1R)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-(3-fluorophenyl)sulfonylquinoline (PubChem CID 118936589) has the molecular formula C20H18FN3O2S and a molecular weight of 383.45 g/mol. Its IUPAC name is 8-[(1R)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-(3-fluorophenyl)sulfonylquinoline.

Molecular Properties

Compound Name8-[(1R)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-(3-fluorophenyl)sulfonylquinoline
PubChem CID118936589
Molecular FormulaC20H18FN3O2S
Molecular Weight383.45 g/mol
Exact Mass383.11
IUPAC Name8-[(1R)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-(3-fluorophenyl)sulfonylquinoline
SMILESO=S(=O)(c1cccc(F)c1)c1cnc2c(N3CC4NC[C@@H]4C3)cccc2c1
InChIInChI=1S/C20H18FN3O2S/c21-15-4-2-5-16(8-15)27(25,26)17-7-13-3-1-6-19(20(13)23-10-17)24-11-14-9-22-18(14)12-24/h1-8,10,14,18,22H,9,11-12H2/t14-,18?/m1/s1
InChIKeyJWPVCEUOTFEVGV-IKJXHCRLSA-N
XLogP2.61
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-[(1R,5R)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-(3-fluorophenyl)sulfonylquinoline
CID 68727214
8-[(1S,5S)-3-aza-6-azoniabicyclo[3.2.0]heptan-3-yl]-3-(3-fluorophenyl)sulfonylquinoline;hydrochloride
CID 86647687
8-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-(4-fluorophenyl)sulfonylquinoline;hydrochloride
CID 173104948
8-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-3-[3-(trifluoromethyl)phenyl]sulfonylquinoline
CID 25196622
3-(4-fluorophenyl)sulfonyl-8-(3-methylpiperazin-1-yl)quinoline
CID 10309460
2-[3-(4-fluorophenyl)sulfonylquinolin-8-yl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-5-carboxylic acid
CID 118936740
3-(3-fluorophenyl)sulfonylquinolin-8-amine
CID 67314085
1-[3-(3-methoxyphenyl)sulfonylquinolin-8-yl]azetidin-3-ol
CID 130404400
3-(benzenesulfonyl)-8-piperazin-1-ylquinoline
CID 11256720
3-(4-chlorophenyl)sulfonyl-8-[(3S)-3-methylpiperazin-1-yl]quinoline
CID 69300630
2-[3-(benzenesulfonyl)quinolin-8-yl]-1,3,4,4a,5,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indole
CID 68728197
(3R)-1-[3-(benzenesulfonyl)quinolin-8-yl]piperidin-3-ol
CID 130404380

Frequently Asked Questions

What is the IUPAC name of 8-[(1R)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-(3-fluorophenyl)sulfonylquinoline?
The IUPAC name of 8-[(1R)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-(3-fluorophenyl)sulfonylquinoline (CID 118936589) is 8-[(1R)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-(3-fluorophenyl)sulfonylquinoline.
What is the SMILES notation for 8-[(1R)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-(3-fluorophenyl)sulfonylquinoline?
The canonical SMILES for 8-[(1R)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-(3-fluorophenyl)sulfonylquinoline is O=S(=O)(c1cccc(F)c1)c1cnc2c(N3CC4NC[C@@H]4C3)cccc2c1.
What is the InChIKey of 8-[(1R)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-(3-fluorophenyl)sulfonylquinoline?
The InChIKey is JWPVCEUOTFEVGV-IKJXHCRLSA-N. The full InChI is InChI=1S/C20H18FN3O2S/c21-15-4-2-5-16(8-15)27(25,26)17-7-13-3-1-6-19(20(13)23-10-17)24-11-14-9-22-18(14)12-24/h1-8,10,14,18,22H,9,11-12H2/t14-,18?/m1/s1.
What are the key properties of 8-[(1R)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-(3-fluorophenyl)sulfonylquinoline?
8-[(1R)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-(3-fluorophenyl)sulfonylquinoline has a molecular weight of 383.45 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1R)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-(3-fluorophenyl)sulfonylquinoline is sourced from PubChem (CID 118936589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).