8-(4-methylpiperazin-1-yl)sulfonylquinoline

C14H17N3O2S — CID 671587

IUPAC8-(4-methylpiperazin-1-yl)sulfonylquinoline
SMILESCN1CCN(S(=O)(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C14H17N3O2S/c1-16-8-10-17(11-9-16)20(18,19)13-6-2-4-12-5-3-7-15-14(12)13/h2-7H,8-11H2,1H3
InChIKeyYOLOLRZIROLLOD-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.17
Rot. Bonds2

About 8-(4-methylpiperazin-1-yl)sulfonylquinoline

8-(4-methylpiperazin-1-yl)sulfonylquinoline (PubChem CID 671587) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 8-(4-methylpiperazin-1-yl)sulfonylquinoline.

Molecular Properties

Compound Name8-(4-methylpiperazin-1-yl)sulfonylquinoline
PubChem CID671587
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name8-(4-methylpiperazin-1-yl)sulfonylquinoline
SMILESCN1CCN(S(=O)(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C14H17N3O2S/c1-16-8-10-17(11-9-16)20(18,19)13-6-2-4-12-5-3-7-15-14(12)13/h2-7H,8-11H2,1H3
InChIKeyYOLOLRZIROLLOD-UHFFFAOYSA-N
XLogP1.17
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-Isoquinolinylsulfonyl)-2-Methylpiperazine
CID 3542
8-(p-Toluenesulfonylamino)quinoline
CID 82533
N-(Quinolin-8-yl)benzenesulfonamide
CID 161167
1-(5-Isoquinolinylsulfonyl)piperazine
CID 3545
iso-H 7
CID 1352
8-Quinolinesulfonamide
CID 94464
8-Quinolinesulfonic acid
CID 66561
Quinoline, 8,8'-dithiobis-
CID 70876
Gsk-215083 C-11
CID 11696674
4-(3-Quinolinyl)-Benzenesulfonamide
CID 122707123
2-Amino-N-quinolin-8-yl-benzenesulfonamide
CID 1070159
5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide
CID 659101

Frequently Asked Questions

What is the IUPAC name of 8-(4-methylpiperazin-1-yl)sulfonylquinoline?
The IUPAC name of 8-(4-methylpiperazin-1-yl)sulfonylquinoline (CID 671587) is 8-(4-methylpiperazin-1-yl)sulfonylquinoline.
What is the SMILES notation for 8-(4-methylpiperazin-1-yl)sulfonylquinoline?
The canonical SMILES for 8-(4-methylpiperazin-1-yl)sulfonylquinoline is CN1CCN(S(=O)(=O)c2cccc3cccnc23)CC1.
What is the InChIKey of 8-(4-methylpiperazin-1-yl)sulfonylquinoline?
The InChIKey is YOLOLRZIROLLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-16-8-10-17(11-9-16)20(18,19)13-6-2-4-12-5-3-7-15-14(12)13/h2-7H,8-11H2,1H3.
What are the key properties of 8-(4-methylpiperazin-1-yl)sulfonylquinoline?
8-(4-methylpiperazin-1-yl)sulfonylquinoline has a molecular weight of 291.38 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methylpiperazin-1-yl)sulfonylquinoline is sourced from PubChem (CID 671587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).