(11Z)-2-methyl-11-(thiophen-2-ylmethylidene)indeno[1,2-b]quinoxaline

C21H14N2S — CID 56696079

IUPAC(11Z)-2-methyl-11-(thiophen-2-ylmethylidene)indeno[1,2-b]quinoxaline
SMILESCc1ccc2c(c1)/C(=C/c1cccs1)c1nc3ccccc3nc1-2
InChIInChI=1S/C21H14N2S/c1-13-8-9-15-16(11-13)17(12-14-5-4-10-24-14)21-20(15)22-18-6-2-3-7-19(18)23-21/h2-12H,1H3/b17-12-
InChIKeyZQIUIVASXGXDDM-ATVHPVEESA-N
MW326.42 g/mol
LogP5.57
Rot. Bonds1

About (11Z)-2-methyl-11-(thiophen-2-ylmethylidene)indeno[1,2-b]quinoxaline

(11Z)-2-methyl-11-(thiophen-2-ylmethylidene)indeno[1,2-b]quinoxaline (PubChem CID 56696079) has the molecular formula C21H14N2S and a molecular weight of 326.42 g/mol. Its IUPAC name is (11Z)-2-methyl-11-(thiophen-2-ylmethylidene)indeno[1,2-b]quinoxaline.

Molecular Properties

Compound Name(11Z)-2-methyl-11-(thiophen-2-ylmethylidene)indeno[1,2-b]quinoxaline
PubChem CID56696079
Molecular FormulaC21H14N2S
Molecular Weight326.42 g/mol
Exact Mass326.09
IUPAC Name(11Z)-2-methyl-11-(thiophen-2-ylmethylidene)indeno[1,2-b]quinoxaline
SMILESCc1ccc2c(c1)/C(=C/c1cccs1)c1nc3ccccc3nc1-2
InChIInChI=1S/C21H14N2S/c1-13-8-9-15-16(11-13)17(12-14-5-4-10-24-14)21-20(15)22-18-6-2-3-7-19(18)23-21/h2-12H,1H3/b17-12-
InChIKeyZQIUIVASXGXDDM-ATVHPVEESA-N
XLogP5.57
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.42
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (11Z)-2-methyl-11-(thiophen-2-ylmethylidene)indeno[1,2-b]quinoxaline?
The IUPAC name of (11Z)-2-methyl-11-(thiophen-2-ylmethylidene)indeno[1,2-b]quinoxaline (CID 56696079) is (11Z)-2-methyl-11-(thiophen-2-ylmethylidene)indeno[1,2-b]quinoxaline.
What is the SMILES notation for (11Z)-2-methyl-11-(thiophen-2-ylmethylidene)indeno[1,2-b]quinoxaline?
The canonical SMILES for (11Z)-2-methyl-11-(thiophen-2-ylmethylidene)indeno[1,2-b]quinoxaline is Cc1ccc2c(c1)/C(=C/c1cccs1)c1nc3ccccc3nc1-2.
What is the InChIKey of (11Z)-2-methyl-11-(thiophen-2-ylmethylidene)indeno[1,2-b]quinoxaline?
The InChIKey is ZQIUIVASXGXDDM-ATVHPVEESA-N. The full InChI is InChI=1S/C21H14N2S/c1-13-8-9-15-16(11-13)17(12-14-5-4-10-24-14)21-20(15)22-18-6-2-3-7-19(18)23-21/h2-12H,1H3/b17-12-.
What are the key properties of (11Z)-2-methyl-11-(thiophen-2-ylmethylidene)indeno[1,2-b]quinoxaline?
(11Z)-2-methyl-11-(thiophen-2-ylmethylidene)indeno[1,2-b]quinoxaline has a molecular weight of 326.42 g/mol, XLogP of 5.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (11Z)-2-methyl-11-(thiophen-2-ylmethylidene)indeno[1,2-b]quinoxaline is sourced from PubChem (CID 56696079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).