8-[(4-cyclobutyl-1,4-diazepan-1-yl)sulfonyl]quinoline

C18H23N3O2S — CID 131703897

IUPAC8-[(4-cyclobutyl-1,4-diazepan-1-yl)sulfonyl]quinoline
SMILESO=S(=O)(c1cccc2cccnc12)N1CCCN(C2CCC2)CC1
InChIInChI=1S/C18H23N3O2S/c22-24(23,17-9-1-5-15-6-3-10-19-18(15)17)21-12-4-11-20(13-14-21)16-7-2-8-16/h1,3,5-6,9-10,16H,2,4,7-8,11-14H2
InChIKeyIAMXCJLNSXCNDA-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.48
Rot. Bonds3

About 8-[(4-cyclobutyl-1,4-diazepan-1-yl)sulfonyl]quinoline

8-[(4-cyclobutyl-1,4-diazepan-1-yl)sulfonyl]quinoline (PubChem CID 131703897) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 8-[(4-cyclobutyl-1,4-diazepan-1-yl)sulfonyl]quinoline.

Molecular Properties

Compound Name8-[(4-cyclobutyl-1,4-diazepan-1-yl)sulfonyl]quinoline
PubChem CID131703897
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name8-[(4-cyclobutyl-1,4-diazepan-1-yl)sulfonyl]quinoline
SMILESO=S(=O)(c1cccc2cccnc12)N1CCCN(C2CCC2)CC1
InChIInChI=1S/C18H23N3O2S/c22-24(23,17-9-1-5-15-6-3-10-19-18(15)17)21-12-4-11-20(13-14-21)16-7-2-8-16/h1,3,5-6,9-10,16H,2,4,7-8,11-14H2
InChIKeyIAMXCJLNSXCNDA-UHFFFAOYSA-N
XLogP2.48
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[(4-cyclobutyl-1,4-diazepan-1-yl)sulfonyl]quinoline?
The IUPAC name of 8-[(4-cyclobutyl-1,4-diazepan-1-yl)sulfonyl]quinoline (CID 131703897) is 8-[(4-cyclobutyl-1,4-diazepan-1-yl)sulfonyl]quinoline.
What is the SMILES notation for 8-[(4-cyclobutyl-1,4-diazepan-1-yl)sulfonyl]quinoline?
The canonical SMILES for 8-[(4-cyclobutyl-1,4-diazepan-1-yl)sulfonyl]quinoline is O=S(=O)(c1cccc2cccnc12)N1CCCN(C2CCC2)CC1.
What is the InChIKey of 8-[(4-cyclobutyl-1,4-diazepan-1-yl)sulfonyl]quinoline?
The InChIKey is IAMXCJLNSXCNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c22-24(23,17-9-1-5-15-6-3-10-19-18(15)17)21-12-4-11-20(13-14-21)16-7-2-8-16/h1,3,5-6,9-10,16H,2,4,7-8,11-14H2.
What are the key properties of 8-[(4-cyclobutyl-1,4-diazepan-1-yl)sulfonyl]quinoline?
8-[(4-cyclobutyl-1,4-diazepan-1-yl)sulfonyl]quinoline has a molecular weight of 345.47 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-cyclobutyl-1,4-diazepan-1-yl)sulfonyl]quinoline is sourced from PubChem (CID 131703897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).