4-morpholin-4-yl-6-[7-(pyridin-4-ylmethylamino)-9H-xanthen-4-yl]-1H-pyridin-2-one

C28H26N4O3 — CID 121394374

IUPAC4-morpholin-4-yl-6-[7-(pyridin-4-ylmethylamino)-9H-xanthen-4-yl]-1H-pyridin-2-one
SMILESO=c1cc(N2CCOCC2)cc(-c2cccc3c2Oc2ccc(NCc4ccncc4)cc2C3)[nH]1
InChIInChI=1S/C28H26N4O3/c33-27-17-23(32-10-12-34-13-11-32)16-25(31-27)24-3-1-2-20-14-21-15-22(4-5-26(21)35-28(20)24)30-18-19-6-8-29-9-7-19/h1-9,15-17,30H,10-14,18H2,(H,31,33)
InChIKeyBIIOTQAJUZXYHY-UHFFFAOYSA-N
MW466.54 g/mol
LogP4.58
Rot. Bonds5

About 4-morpholin-4-yl-6-[7-(pyridin-4-ylmethylamino)-9H-xanthen-4-yl]-1H-pyridin-2-one

4-morpholin-4-yl-6-[7-(pyridin-4-ylmethylamino)-9H-xanthen-4-yl]-1H-pyridin-2-one (PubChem CID 121394374) has the molecular formula C28H26N4O3 and a molecular weight of 466.54 g/mol. Its IUPAC name is 4-morpholin-4-yl-6-[7-(pyridin-4-ylmethylamino)-9H-xanthen-4-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-morpholin-4-yl-6-[7-(pyridin-4-ylmethylamino)-9H-xanthen-4-yl]-1H-pyridin-2-one
PubChem CID121394374
Molecular FormulaC28H26N4O3
Molecular Weight466.54 g/mol
Exact Mass466.20
IUPAC Name4-morpholin-4-yl-6-[7-(pyridin-4-ylmethylamino)-9H-xanthen-4-yl]-1H-pyridin-2-one
SMILESO=c1cc(N2CCOCC2)cc(-c2cccc3c2Oc2ccc(NCc4ccncc4)cc2C3)[nH]1
InChIInChI=1S/C28H26N4O3/c33-27-17-23(32-10-12-34-13-11-32)16-25(31-27)24-3-1-2-20-14-21-15-22(4-5-26(21)35-28(20)24)30-18-19-6-8-29-9-7-19/h1-9,15-17,30H,10-14,18H2,(H,31,33)
InChIKeyBIIOTQAJUZXYHY-UHFFFAOYSA-N
XLogP4.58
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-morpholin-4-yl-6-[7-(pyridin-4-ylmethylamino)-9H-xanthen-4-yl]-1H-pyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

5-[[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]methyl]pyridine-3-carbonitrile
CID 121394791
6-[7-[(6-chloro-3-pyridinyl)methylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121468024
4-morpholin-4-yl-6-[7-(pyridazin-3-ylmethylamino)-9H-xanthen-4-yl]-1H-pyridin-2-one
CID 121394561
6-[7-[[6-(methylamino)-3-pyridinyl]methylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121393969
4-morpholin-4-yl-6-[7-[[5-(propan-2-ylamino)-3-pyridinyl]methylamino]-9H-xanthen-4-yl]-1H-pyridin-2-one
CID 121467887
6-[7-[(6-methylpyrazin-2-yl)methylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121395163
6-[7-[(5-cyclopent-2-en-1-yl-3-pyridinyl)methylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121467604
6-[7-[(6-methoxy-2-pyridinyl)methylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121394781
6-[7-[(5-methyl-2-pyridinyl)methylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121394784
6-[7-(azetidin-3-ylamino)-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121394968
4-morpholin-4-yl-6-[7-[[1-(pyridin-3-ylmethyl)azetidin-3-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one
CID 121395222
4-morpholin-4-yl-6-[7-[(1-pyridin-3-ylpiperidin-4-yl)amino]-9H-xanthen-4-yl]-1H-pyridin-2-one
CID 121395298

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-6-[7-(pyridin-4-ylmethylamino)-9H-xanthen-4-yl]-1H-pyridin-2-one?
The IUPAC name of 4-morpholin-4-yl-6-[7-(pyridin-4-ylmethylamino)-9H-xanthen-4-yl]-1H-pyridin-2-one (CID 121394374) is 4-morpholin-4-yl-6-[7-(pyridin-4-ylmethylamino)-9H-xanthen-4-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-morpholin-4-yl-6-[7-(pyridin-4-ylmethylamino)-9H-xanthen-4-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-morpholin-4-yl-6-[7-(pyridin-4-ylmethylamino)-9H-xanthen-4-yl]-1H-pyridin-2-one is O=c1cc(N2CCOCC2)cc(-c2cccc3c2Oc2ccc(NCc4ccncc4)cc2C3)[nH]1.
What is the InChIKey of 4-morpholin-4-yl-6-[7-(pyridin-4-ylmethylamino)-9H-xanthen-4-yl]-1H-pyridin-2-one?
The InChIKey is BIIOTQAJUZXYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O3/c33-27-17-23(32-10-12-34-13-11-32)16-25(31-27)24-3-1-2-20-14-21-15-22(4-5-26(21)35-28(20)24)30-18-19-6-8-29-9-7-19/h1-9,15-17,30H,10-14,18H2,(H,31,33).
What are the key properties of 4-morpholin-4-yl-6-[7-(pyridin-4-ylmethylamino)-9H-xanthen-4-yl]-1H-pyridin-2-one?
4-morpholin-4-yl-6-[7-(pyridin-4-ylmethylamino)-9H-xanthen-4-yl]-1H-pyridin-2-one has a molecular weight of 466.54 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-6-[7-(pyridin-4-ylmethylamino)-9H-xanthen-4-yl]-1H-pyridin-2-one is sourced from PubChem (CID 121394374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).