(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

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

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Related Compounds

(7-methoxythieno[2,3-b]quinolin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 15990488
6-methoxy-N-(5-methyl-1,2-oxazol-3-yl)thieno[2,3-b]quinoline-2-carboxamide
CID 5189392
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 92656948
6-methoxy-N-phenyl-N-prop-2-enylthieno[2,3-b]quinoline-2-carboxamide
CID 6621724
6-methoxy-N-[(2-methoxyphenyl)methyl]thieno[2,3-b]quinoline-2-carboxamide
CID 22434613
6-methoxy-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-b]quinoline-2-carboxamide
CID 15995302
(4-methylpiperazin-1-yl)-(7-methylthieno[2,3-b]quinolin-2-yl)methanone
CID 864178
N-[(5-bromo-2-methoxyphenyl)methyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 15999971
10-methyl-5-(4-methylpiperazin-4-ium-1-carbonyl)-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one
CID 3362114
N-(3,5-dimethoxyphenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide
CID 20966485
ethyl 4-[(7-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]piperidine-1-carboxylate
CID 46249798
(3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-piperidin-1-ylmethanone
CID 865126

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).