5-(1,4-diazepan-1-ylsulfonyl)quinoline;hydrochloride

C14H18ClN3O2S — CID 119963237

IUPAC5-(1,4-diazepan-1-ylsulfonyl)quinoline;hydrochloride
SMILESCl.O=S(=O)(c1cccc2ncccc12)N1CCCNCC1
InChIInChI=1S/C14H17N3O2S.ClH/c18-20(19,17-10-3-7-15-9-11-17)14-6-1-5-13-12(14)4-2-8-16-13;/h1-2,4-6,8,15H,3,7,9-11H2;1H
InChIKeyUTWNHJXBOGPTBB-UHFFFAOYSA-N
MW327.84 g/mol
LogP1.64
Rot. Bonds2

About 5-(1,4-diazepan-1-ylsulfonyl)quinoline;hydrochloride

5-(1,4-diazepan-1-ylsulfonyl)quinoline;hydrochloride (PubChem CID 119963237) has the molecular formula C14H18ClN3O2S and a molecular weight of 327.84 g/mol. Its IUPAC name is 5-(1,4-diazepan-1-ylsulfonyl)quinoline;hydrochloride.

Molecular Properties

Compound Name5-(1,4-diazepan-1-ylsulfonyl)quinoline;hydrochloride
PubChem CID119963237
Molecular FormulaC14H18ClN3O2S
Molecular Weight327.84 g/mol
Exact Mass327.08
IUPAC Name5-(1,4-diazepan-1-ylsulfonyl)quinoline;hydrochloride
SMILESCl.O=S(=O)(c1cccc2ncccc12)N1CCCNCC1
InChIInChI=1S/C14H17N3O2S.ClH/c18-20(19,17-10-3-7-15-9-11-17)14-6-1-5-13-12(14)4-2-8-16-13;/h1-2,4-6,8,15H,3,7,9-11H2;1H
InChIKeyUTWNHJXBOGPTBB-UHFFFAOYSA-N
XLogP1.64
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.84
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methylpiperazin-1-yl)sulfonylquinoline
CID 115599575
3-(1,4-diazepan-1-ylsulfonyl)-1H-pyrrolo[2,3-b]pyridine
CID 61171970
1-quinolin-5-ylsulfonylpiperidin-4-amine
CID 115752090
5-(4-bromopiperidin-1-yl)sulfonylquinoline
CID 104774213
1-(2,3-dichlorophenyl)sulfonyl-1,4-diazepane;hydrochloride
CID 119963200
5-(1,4-diazepan-1-ylsulfonyl)-N,N-dimethylnaphthalen-1-amine
CID 14098042
1-chloro-5-piperazin-1-ylsulfonylisoquinoline
CID 22393159
1-naphthalen-1-ylsulfonylpiperazine
CID 42626101
1-pyridin-2-ylsulfonyl-1,4-diazepane
CID 86784566
3-methyl-1-quinolin-5-ylsulfonylazetidin-3-ol
CID 104773999
1-(2-bromophenyl)sulfonyl-1,4-diazepane
CID 28973443
5-(1,4-diazepan-1-ylsulfonyl)-2,4-dimethylisoquinolin-1-one;hydrochloride
CID 24757491

Frequently Asked Questions

What is the IUPAC name of 5-(1,4-diazepan-1-ylsulfonyl)quinoline;hydrochloride?
The IUPAC name of 5-(1,4-diazepan-1-ylsulfonyl)quinoline;hydrochloride (CID 119963237) is 5-(1,4-diazepan-1-ylsulfonyl)quinoline;hydrochloride.
What is the SMILES notation for 5-(1,4-diazepan-1-ylsulfonyl)quinoline;hydrochloride?
The canonical SMILES for 5-(1,4-diazepan-1-ylsulfonyl)quinoline;hydrochloride is Cl.O=S(=O)(c1cccc2ncccc12)N1CCCNCC1.
What is the InChIKey of 5-(1,4-diazepan-1-ylsulfonyl)quinoline;hydrochloride?
The InChIKey is UTWNHJXBOGPTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S.ClH/c18-20(19,17-10-3-7-15-9-11-17)14-6-1-5-13-12(14)4-2-8-16-13;/h1-2,4-6,8,15H,3,7,9-11H2;1H.
What are the key properties of 5-(1,4-diazepan-1-ylsulfonyl)quinoline;hydrochloride?
5-(1,4-diazepan-1-ylsulfonyl)quinoline;hydrochloride has a molecular weight of 327.84 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4-diazepan-1-ylsulfonyl)quinoline;hydrochloride is sourced from PubChem (CID 119963237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).