2-methyl-3-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]quinoxaline

C19H22N4S — CID 77085343

IUPAC2-methyl-3-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]quinoxaline
SMILESCc1nc2ccccc2nc1CN1CCN(Cc2cccs2)CC1
InChIInChI=1S/C19H22N4S/c1-15-19(21-18-7-3-2-6-17(18)20-15)14-23-10-8-22(9-11-23)13-16-5-4-12-24-16/h2-7,12H,8-11,13-14H2,1H3
InChIKeyBIVQZRKKOBQXAK-UHFFFAOYSA-N
MW338.48 g/mol
LogP3.32
Rot. Bonds4

About 2-methyl-3-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]quinoxaline

2-methyl-3-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]quinoxaline (PubChem CID 77085343) has the molecular formula C19H22N4S and a molecular weight of 338.48 g/mol. Its IUPAC name is 2-methyl-3-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]quinoxaline.

Molecular Properties

Compound Name2-methyl-3-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]quinoxaline
PubChem CID77085343
Molecular FormulaC19H22N4S
Molecular Weight338.48 g/mol
Exact Mass338.16
IUPAC Name2-methyl-3-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]quinoxaline
SMILESCc1nc2ccccc2nc1CN1CCN(Cc2cccs2)CC1
InChIInChI=1S/C19H22N4S/c1-15-19(21-18-7-3-2-6-17(18)20-15)14-23-10-8-22(9-11-23)13-16-5-4-12-24-16/h2-7,12H,8-11,13-14H2,1H3
InChIKeyBIVQZRKKOBQXAK-UHFFFAOYSA-N
XLogP3.32
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methylquinoxalin-2-yl)sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 35503083
4-(thiophen-2-ylmethyl)thiomorpholine
CID 792399
4-(thiophen-2-ylmethyl)piperazine-1-carbaldehyde
CID 60679812
6-methyl-2-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 17443532
propane;4-(thiophen-2-ylmethyl)morpholine
CID 142296614
5-(4-methylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrimidine-4,6-diamine
CID 21101327
3,9-bis(thiophen-2-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97370579
1-(thiophen-2-ylmethyl)piperazine
CID 566208
3-methyl-N-(thiophen-2-ylmethyl)quinoxalin-2-amine
CID 36590033
3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 43397030
(2-methylphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 110709190
1-(thiophen-2-ylmethyl)piperidin-4-one
CID 18001837

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]quinoxaline?
The IUPAC name of 2-methyl-3-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]quinoxaline (CID 77085343) is 2-methyl-3-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]quinoxaline.
What is the SMILES notation for 2-methyl-3-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]quinoxaline?
The canonical SMILES for 2-methyl-3-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]quinoxaline is Cc1nc2ccccc2nc1CN1CCN(Cc2cccs2)CC1.
What is the InChIKey of 2-methyl-3-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]quinoxaline?
The InChIKey is BIVQZRKKOBQXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4S/c1-15-19(21-18-7-3-2-6-17(18)20-15)14-23-10-8-22(9-11-23)13-16-5-4-12-24-16/h2-7,12H,8-11,13-14H2,1H3.
What are the key properties of 2-methyl-3-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]quinoxaline?
2-methyl-3-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]quinoxaline has a molecular weight of 338.48 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]quinoxaline is sourced from PubChem (CID 77085343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).