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

C18H19N3O2S — CID 3240696

IUPAC(6-methoxythieno[2,3-b]quinolin-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccc2nc3sc(C(=O)N4CCN(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
InChIKeyKHBHRJDXLWCFES-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.85
Rot. Bonds2

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

(6-methoxythieno[2,3-b]quinolin-2-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 3240696) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is (6-methoxythieno[2,3-b]quinolin-2-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(6-methoxythieno[2,3-b]quinolin-2-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID3240696
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name(6-methoxythieno[2,3-b]quinolin-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccc2nc3sc(C(=O)N4CCN(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
InChIKeyKHBHRJDXLWCFES-UHFFFAOYSA-N
XLogP2.85
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-methoxythieno[2,3-b]quinolin-2-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (6-methoxythieno[2,3-b]quinolin-2-yl)-(4-methylpiperazin-1-yl)methanone (CID 3240696) is (6-methoxythieno[2,3-b]quinolin-2-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (6-methoxythieno[2,3-b]quinolin-2-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (6-methoxythieno[2,3-b]quinolin-2-yl)-(4-methylpiperazin-1-yl)methanone is COc1ccc2nc3sc(C(=O)N4CCN(C)CC4)cc3cc2c1.
What is the InChIKey of (6-methoxythieno[2,3-b]quinolin-2-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is KHBHRJDXLWCFES-UHFFFAOYSA-N. 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.
What are the key properties of (6-methoxythieno[2,3-b]quinolin-2-yl)-(4-methylpiperazin-1-yl)methanone?
(6-methoxythieno[2,3-b]quinolin-2-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 341.44 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxythieno[2,3-b]quinolin-2-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 3240696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).