4-morpholin-4-yl-6-[7-(2-morpholin-4-ylethylamino)thianthren-1-yl]-1H-pyridin-2-one

C27H30N4O3S2 — CID 121394899

IUPAC4-morpholin-4-yl-6-[7-(2-morpholin-4-ylethylamino)thianthren-1-yl]-1H-pyridin-2-one
SMILESO=c1cc(N2CCOCC2)cc(-c2cccc3c2Sc2ccc(NCCN4CCOCC4)cc2S3)[nH]1
InChIInChI=1S/C27H30N4O3S2/c32-26-18-20(31-10-14-34-15-11-31)17-22(29-26)21-2-1-3-24-27(21)36-23-5-4-19(16-25(23)35-24)28-6-7-30-8-12-33-13-9-30/h1-5,16-18,28H,6-15H2,(H,29,32)
InChIKeySQXAMUYIRNKBRK-UHFFFAOYSA-N
MW522.70 g/mol
LogP4.24
Rot. Bonds6

About 4-morpholin-4-yl-6-[7-(2-morpholin-4-ylethylamino)thianthren-1-yl]-1H-pyridin-2-one

4-morpholin-4-yl-6-[7-(2-morpholin-4-ylethylamino)thianthren-1-yl]-1H-pyridin-2-one (PubChem CID 121394899) has the molecular formula C27H30N4O3S2 and a molecular weight of 522.70 g/mol. Its IUPAC name is 4-morpholin-4-yl-6-[7-(2-morpholin-4-ylethylamino)thianthren-1-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-morpholin-4-yl-6-[7-(2-morpholin-4-ylethylamino)thianthren-1-yl]-1H-pyridin-2-one
PubChem CID121394899
Molecular FormulaC27H30N4O3S2
Molecular Weight522.70 g/mol
Exact Mass522.18
IUPAC Name4-morpholin-4-yl-6-[7-(2-morpholin-4-ylethylamino)thianthren-1-yl]-1H-pyridin-2-one
SMILESO=c1cc(N2CCOCC2)cc(-c2cccc3c2Sc2ccc(NCCN4CCOCC4)cc2S3)[nH]1
InChIInChI=1S/C27H30N4O3S2/c32-26-18-20(31-10-14-34-15-11-31)17-22(29-26)21-2-1-3-24-27(21)36-23-5-4-19(16-25(23)35-24)28-6-7-30-8-12-33-13-9-30/h1-5,16-18,28H,6-15H2,(H,29,32)
InChIKeySQXAMUYIRNKBRK-UHFFFAOYSA-N
XLogP4.24
TPSA69.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.70
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-morpholin-4-yl-6-[7-(2-morpholin-4-ylethylamino)thianthren-1-yl]-1H-pyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

6-[7-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethylamino]thianthren-1-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121394369
6-[7-[2-(4-methoxypiperidin-1-yl)ethylamino]thianthren-1-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121393966
4-morpholin-4-yl-6-[7-(4-morpholin-4-ylbutan-2-ylamino)thianthren-1-yl]-1H-pyridin-2-one
CID 121394592
6-[7-(1,3-dichloropropan-2-ylamino)thianthren-1-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121394567
4-morpholin-4-yl-6-[7-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]thianthren-1-yl]-1H-pyridin-2-one
CID 121393816
6-[7-[[(2S)-1-methylpyrrolidin-2-yl]methylamino]thianthren-1-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121394520
6-[7-[4-(4-methylpiperazin-1-yl)butan-2-ylamino]thianthren-1-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121468101
6-[7-[(1-methylpiperidin-4-yl)amino]thianthren-1-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 154407591
6-[7-(1-hydroxybutan-2-ylamino)thianthren-1-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 155132231
4-morpholin-4-yl-6-[7-[[(3S)-3-morpholin-4-ylbutan-2-yl]amino]thianthren-1-yl]-1H-pyridin-2-one
CID 121394224
6-[7-(2-aminoanilino)thianthren-1-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121393836
6-[7-[[1-(5-methyl-2-pyridinyl)-3-morpholin-4-ylpropyl]amino]thianthren-1-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121467828

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-6-[7-(2-morpholin-4-ylethylamino)thianthren-1-yl]-1H-pyridin-2-one?
The IUPAC name of 4-morpholin-4-yl-6-[7-(2-morpholin-4-ylethylamino)thianthren-1-yl]-1H-pyridin-2-one (CID 121394899) is 4-morpholin-4-yl-6-[7-(2-morpholin-4-ylethylamino)thianthren-1-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-morpholin-4-yl-6-[7-(2-morpholin-4-ylethylamino)thianthren-1-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-morpholin-4-yl-6-[7-(2-morpholin-4-ylethylamino)thianthren-1-yl]-1H-pyridin-2-one is O=c1cc(N2CCOCC2)cc(-c2cccc3c2Sc2ccc(NCCN4CCOCC4)cc2S3)[nH]1.
What is the InChIKey of 4-morpholin-4-yl-6-[7-(2-morpholin-4-ylethylamino)thianthren-1-yl]-1H-pyridin-2-one?
The InChIKey is SQXAMUYIRNKBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3S2/c32-26-18-20(31-10-14-34-15-11-31)17-22(29-26)21-2-1-3-24-27(21)36-23-5-4-19(16-25(23)35-24)28-6-7-30-8-12-33-13-9-30/h1-5,16-18,28H,6-15H2,(H,29,32).
What are the key properties of 4-morpholin-4-yl-6-[7-(2-morpholin-4-ylethylamino)thianthren-1-yl]-1H-pyridin-2-one?
4-morpholin-4-yl-6-[7-(2-morpholin-4-ylethylamino)thianthren-1-yl]-1H-pyridin-2-one has a molecular weight of 522.70 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-6-[7-(2-morpholin-4-ylethylamino)thianthren-1-yl]-1H-pyridin-2-one is sourced from PubChem (CID 121394899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).