[2-(6-methoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium

C20H25N2O2S+ — CID 7070264

IUPAC[2-(6-methoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
SMILESCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)C[NH2+]Cc1cccs1
InChIInChI=1S/C20H24N2O2S/c1-14-11-20(2,3)22(18-8-7-15(24-4)10-17(14)18)19(23)13-21-12-16-6-5-9-25-16/h5-11,21H,12-13H2,1-4H3/p+1
InChIKeyXPZMBSRQAXXOCN-UHFFFAOYSA-O
MW357.50 g/mol
LogP3.05
Rot. Bonds5

About [2-(6-methoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium

[2-(6-methoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium (PubChem CID 7070264) has the molecular formula C20H25N2O2S+ and a molecular weight of 357.50 g/mol. Its IUPAC name is [2-(6-methoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium.

Molecular Properties

Compound Name[2-(6-methoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
PubChem CID7070264
Molecular FormulaC20H25N2O2S+
Molecular Weight357.50 g/mol
Exact Mass357.16
IUPAC Name[2-(6-methoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
SMILESCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)C[NH2+]Cc1cccs1
InChIInChI=1S/C20H24N2O2S/c1-14-11-20(2,3)22(18-8-7-15(24-4)10-17(14)18)19(23)13-21-12-16-6-5-9-25-16/h5-11,21H,12-13H2,1-4H3/p+1
InChIKeyXPZMBSRQAXXOCN-UHFFFAOYSA-O
XLogP3.05
TPSA46.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(6-methoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium?
The IUPAC name of [2-(6-methoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium (CID 7070264) is [2-(6-methoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium.
What is the SMILES notation for [2-(6-methoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium?
The canonical SMILES for [2-(6-methoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium is COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)C[NH2+]Cc1cccs1.
What is the InChIKey of [2-(6-methoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium?
The InChIKey is XPZMBSRQAXXOCN-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H24N2O2S/c1-14-11-20(2,3)22(18-8-7-15(24-4)10-17(14)18)19(23)13-21-12-16-6-5-9-25-16/h5-11,21H,12-13H2,1-4H3/p+1.
What are the key properties of [2-(6-methoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium?
[2-(6-methoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium has a molecular weight of 357.50 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-methoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium is sourced from PubChem (CID 7070264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).