(2-propan-2-ylthiomorpholin-4-yl)-quinoxalin-6-ylmethanone

C16H19N3OS — CID 75374506

IUPAC(2-propan-2-ylthiomorpholin-4-yl)-quinoxalin-6-ylmethanone
SMILESCC(C)C1CN(C(=O)c2ccc3nccnc3c2)CCS1
InChIInChI=1S/C16H19N3OS/c1-11(2)15-10-19(7-8-21-15)16(20)12-3-4-13-14(9-12)18-6-5-17-13/h3-6,9,11,15H,7-8,10H2,1-2H3
InChIKeyZCFSZWIWRFCHBU-UHFFFAOYSA-N
MW301.41 g/mol
LogP2.84
Rot. Bonds2

About (2-propan-2-ylthiomorpholin-4-yl)-quinoxalin-6-ylmethanone

(2-propan-2-ylthiomorpholin-4-yl)-quinoxalin-6-ylmethanone (PubChem CID 75374506) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is (2-propan-2-ylthiomorpholin-4-yl)-quinoxalin-6-ylmethanone.

Molecular Properties

Compound Name(2-propan-2-ylthiomorpholin-4-yl)-quinoxalin-6-ylmethanone
PubChem CID75374506
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC Name(2-propan-2-ylthiomorpholin-4-yl)-quinoxalin-6-ylmethanone
SMILESCC(C)C1CN(C(=O)c2ccc3nccnc3c2)CCS1
InChIInChI=1S/C16H19N3OS/c1-11(2)15-10-19(7-8-21-15)16(20)12-3-4-13-14(9-12)18-6-5-17-13/h3-6,9,11,15H,7-8,10H2,1-2H3
InChIKeyZCFSZWIWRFCHBU-UHFFFAOYSA-N
XLogP2.84
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-propan-2-ylthiomorpholin-4-yl)-quinoxalin-6-ylmethanone?
The IUPAC name of (2-propan-2-ylthiomorpholin-4-yl)-quinoxalin-6-ylmethanone (CID 75374506) is (2-propan-2-ylthiomorpholin-4-yl)-quinoxalin-6-ylmethanone.
What is the SMILES notation for (2-propan-2-ylthiomorpholin-4-yl)-quinoxalin-6-ylmethanone?
The canonical SMILES for (2-propan-2-ylthiomorpholin-4-yl)-quinoxalin-6-ylmethanone is CC(C)C1CN(C(=O)c2ccc3nccnc3c2)CCS1.
What is the InChIKey of (2-propan-2-ylthiomorpholin-4-yl)-quinoxalin-6-ylmethanone?
The InChIKey is ZCFSZWIWRFCHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-11(2)15-10-19(7-8-21-15)16(20)12-3-4-13-14(9-12)18-6-5-17-13/h3-6,9,11,15H,7-8,10H2,1-2H3.
What are the key properties of (2-propan-2-ylthiomorpholin-4-yl)-quinoxalin-6-ylmethanone?
(2-propan-2-ylthiomorpholin-4-yl)-quinoxalin-6-ylmethanone has a molecular weight of 301.41 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propan-2-ylthiomorpholin-4-yl)-quinoxalin-6-ylmethanone is sourced from PubChem (CID 75374506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).