(6-methoxythieno[2,3-b]quinolin-2-yl)-(4-methylpiperazin-4-ium-1-yl)methanone

C18H20N3O2S+ — CID 3298499

IUPAC(6-methoxythieno[2,3-b]quinolin-2-yl)-(4-methylpiperazin-4-ium-1-yl)methanone
SMILESCOc1ccc2nc3sc(C(=O)N4CC[NH+](C)CC4)cc3cc2c1
InChIInChI=1S/C18H19N3O2S/c1-20-5-7-21(8-6-20)18(22)16-11-13-9-12-10-14(23-2)3-4-15(12)19-17(13)24-16/h3-4,9-11H,5-8H2,1-2H3/p+1
InChIKeyKHBHRJDXLWCFES-UHFFFAOYSA-O
MW342.44 g/mol
LogP1.43
Rot. Bonds2

About (6-methoxythieno[2,3-b]quinolin-2-yl)-(4-methylpiperazin-4-ium-1-yl)methanone

(6-methoxythieno[2,3-b]quinolin-2-yl)-(4-methylpiperazin-4-ium-1-yl)methanone (PubChem CID 3298499) has the molecular formula C18H20N3O2S+ and a molecular weight of 342.44 g/mol. Its IUPAC name is (6-methoxythieno[2,3-b]quinolin-2-yl)-(4-methylpiperazin-4-ium-1-yl)methanone.

Molecular Properties

Compound Name(6-methoxythieno[2,3-b]quinolin-2-yl)-(4-methylpiperazin-4-ium-1-yl)methanone
PubChem CID3298499
Molecular FormulaC18H20N3O2S+
Molecular Weight342.44 g/mol
Exact Mass342.13
IUPAC Name(6-methoxythieno[2,3-b]quinolin-2-yl)-(4-methylpiperazin-4-ium-1-yl)methanone
SMILESCOc1ccc2nc3sc(C(=O)N4CC[NH+](C)CC4)cc3cc2c1
InChIInChI=1S/C18H19N3O2S/c1-20-5-7-21(8-6-20)18(22)16-11-13-9-12-10-14(23-2)3-4-15(12)19-17(13)24-16/h3-4,9-11H,5-8H2,1-2H3/p+1
InChIKeyKHBHRJDXLWCFES-UHFFFAOYSA-O
XLogP1.43
TPSA46.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-methoxythieno[2,3-b]quinolin-2-yl)-(4-methylpiperazin-4-ium-1-yl)methanone?
The IUPAC name of (6-methoxythieno[2,3-b]quinolin-2-yl)-(4-methylpiperazin-4-ium-1-yl)methanone (CID 3298499) is (6-methoxythieno[2,3-b]quinolin-2-yl)-(4-methylpiperazin-4-ium-1-yl)methanone.
What is the SMILES notation for (6-methoxythieno[2,3-b]quinolin-2-yl)-(4-methylpiperazin-4-ium-1-yl)methanone?
The canonical SMILES for (6-methoxythieno[2,3-b]quinolin-2-yl)-(4-methylpiperazin-4-ium-1-yl)methanone is COc1ccc2nc3sc(C(=O)N4CC[NH+](C)CC4)cc3cc2c1.
What is the InChIKey of (6-methoxythieno[2,3-b]quinolin-2-yl)-(4-methylpiperazin-4-ium-1-yl)methanone?
The InChIKey is KHBHRJDXLWCFES-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H19N3O2S/c1-20-5-7-21(8-6-20)18(22)16-11-13-9-12-10-14(23-2)3-4-15(12)19-17(13)24-16/h3-4,9-11H,5-8H2,1-2H3/p+1.
What are the key properties of (6-methoxythieno[2,3-b]quinolin-2-yl)-(4-methylpiperazin-4-ium-1-yl)methanone?
(6-methoxythieno[2,3-b]quinolin-2-yl)-(4-methylpiperazin-4-ium-1-yl)methanone has a molecular weight of 342.44 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxythieno[2,3-b]quinolin-2-yl)-(4-methylpiperazin-4-ium-1-yl)methanone is sourced from PubChem (CID 3298499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).