1-morpholin-4-yl-2-(7,8,9,10-tetrahydrophenanthridin-6-ylsulfanyl)ethanone

C19H22N2O2S — CID 24762129

IUPAC1-morpholin-4-yl-2-(7,8,9,10-tetrahydrophenanthridin-6-ylsulfanyl)ethanone
SMILESO=C(CSc1nc2ccccc2c2c1CCCC2)N1CCOCC1
InChIInChI=1S/C19H22N2O2S/c22-18(21-9-11-23-12-10-21)13-24-19-16-7-2-1-5-14(16)15-6-3-4-8-17(15)20-19/h3-4,6,8H,1-2,5,7,9-13H2
InChIKeyGNEXZWSYIIDQCR-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.06
Rot. Bonds3

About 1-morpholin-4-yl-2-(7,8,9,10-tetrahydrophenanthridin-6-ylsulfanyl)ethanone

1-morpholin-4-yl-2-(7,8,9,10-tetrahydrophenanthridin-6-ylsulfanyl)ethanone (PubChem CID 24762129) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-(7,8,9,10-tetrahydrophenanthridin-6-ylsulfanyl)ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-(7,8,9,10-tetrahydrophenanthridin-6-ylsulfanyl)ethanone
PubChem CID24762129
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name1-morpholin-4-yl-2-(7,8,9,10-tetrahydrophenanthridin-6-ylsulfanyl)ethanone
SMILESO=C(CSc1nc2ccccc2c2c1CCCC2)N1CCOCC1
InChIInChI=1S/C19H22N2O2S/c22-18(21-9-11-23-12-10-21)13-24-19-16-7-2-1-5-14(16)15-6-3-4-8-17(15)20-19/h3-4,6,8H,1-2,5,7,9-13H2
InChIKeyGNEXZWSYIIDQCR-UHFFFAOYSA-N
XLogP3.06
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-(7,8,9,10-tetrahydrophenanthridin-6-ylsulfanyl)ethanone?
The IUPAC name of 1-morpholin-4-yl-2-(7,8,9,10-tetrahydrophenanthridin-6-ylsulfanyl)ethanone (CID 24762129) is 1-morpholin-4-yl-2-(7,8,9,10-tetrahydrophenanthridin-6-ylsulfanyl)ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-(7,8,9,10-tetrahydrophenanthridin-6-ylsulfanyl)ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-(7,8,9,10-tetrahydrophenanthridin-6-ylsulfanyl)ethanone is O=C(CSc1nc2ccccc2c2c1CCCC2)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-(7,8,9,10-tetrahydrophenanthridin-6-ylsulfanyl)ethanone?
The InChIKey is GNEXZWSYIIDQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c22-18(21-9-11-23-12-10-21)13-24-19-16-7-2-1-5-14(16)15-6-3-4-8-17(15)20-19/h3-4,6,8H,1-2,5,7,9-13H2.
What are the key properties of 1-morpholin-4-yl-2-(7,8,9,10-tetrahydrophenanthridin-6-ylsulfanyl)ethanone?
1-morpholin-4-yl-2-(7,8,9,10-tetrahydrophenanthridin-6-ylsulfanyl)ethanone has a molecular weight of 342.46 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-(7,8,9,10-tetrahydrophenanthridin-6-ylsulfanyl)ethanone is sourced from PubChem (CID 24762129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).