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

C29H28N4O4 — CID 121394781

IUPAC6-[7-[(6-methoxy-2-pyridinyl)methylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
SMILESCOc1cccc(CNc2ccc3c(c2)Cc2cccc(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2O3)n1
InChIInChI=1S/C29H28N4O4/c1-35-28-7-3-5-22(31-28)18-30-21-8-9-26-20(15-21)14-19-4-2-6-24(29(19)37-26)25-16-23(17-27(34)32-25)33-10-12-36-13-11-33/h2-9,15-17,30H,10-14,18H2,1H3,(H,32,34)
InChIKeyRHUSJWDDYTVYMT-UHFFFAOYSA-N
MW496.57 g/mol
LogP4.59
Rot. Bonds6

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

6-[7-[(6-methoxy-2-pyridinyl)methylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one (PubChem CID 121394781) has the molecular formula C29H28N4O4 and a molecular weight of 496.57 g/mol. Its IUPAC name is 6-[7-[(6-methoxy-2-pyridinyl)methylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[7-[(6-methoxy-2-pyridinyl)methylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
PubChem CID121394781
Molecular FormulaC29H28N4O4
Molecular Weight496.57 g/mol
Exact Mass496.21
IUPAC Name6-[7-[(6-methoxy-2-pyridinyl)methylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
SMILESCOc1cccc(CNc2ccc3c(c2)Cc2cccc(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2O3)n1
InChIInChI=1S/C29H28N4O4/c1-35-28-7-3-5-22(31-28)18-30-21-8-9-26-20(15-21)14-19-4-2-6-24(29(19)37-26)25-16-23(17-27(34)32-25)33-10-12-36-13-11-33/h2-9,15-17,30H,10-14,18H2,1H3,(H,32,34)
InChIKeyRHUSJWDDYTVYMT-UHFFFAOYSA-N
XLogP4.59
TPSA88.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.57
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[7-[(6-methoxy-2-pyridinyl)methylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one?
The IUPAC name of 6-[7-[(6-methoxy-2-pyridinyl)methylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one (CID 121394781) is 6-[7-[(6-methoxy-2-pyridinyl)methylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one.
What is the SMILES notation for 6-[7-[(6-methoxy-2-pyridinyl)methylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one?
The canonical SMILES for 6-[7-[(6-methoxy-2-pyridinyl)methylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one is COc1cccc(CNc2ccc3c(c2)Cc2cccc(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2O3)n1.
What is the InChIKey of 6-[7-[(6-methoxy-2-pyridinyl)methylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one?
The InChIKey is RHUSJWDDYTVYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O4/c1-35-28-7-3-5-22(31-28)18-30-21-8-9-26-20(15-21)14-19-4-2-6-24(29(19)37-26)25-16-23(17-27(34)32-25)33-10-12-36-13-11-33/h2-9,15-17,30H,10-14,18H2,1H3,(H,32,34).
What are the key properties of 6-[7-[(6-methoxy-2-pyridinyl)methylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one?
6-[7-[(6-methoxy-2-pyridinyl)methylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one has a molecular weight of 496.57 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-[(6-methoxy-2-pyridinyl)methylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one is sourced from PubChem (CID 121394781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).