4-[[3-(3-pyridin-3-ylphenoxazin-10-yl)-8-azabicyclo[3.2.1]octan-8-yl]methyl]-2H-furan-5-one

C29H27N3O3 — CID 68915526

IUPAC4-[[3-(3-pyridin-3-ylphenoxazin-10-yl)-8-azabicyclo[3.2.1]octan-8-yl]methyl]-2H-furan-5-one
SMILESO=C1OCC=C1CN1C2CCC1CC(N1c3ccccc3Oc3cc(-c4cccnc4)ccc31)C2
InChIInChI=1S/C29H27N3O3/c33-29-21(11-13-34-29)18-31-22-8-9-23(31)16-24(15-22)32-25-5-1-2-6-27(25)35-28-14-19(7-10-26(28)32)20-4-3-12-30-17-20/h1-7,10-12,14,17,22-24H,8-9,13,15-16,18H2
InChIKeyNZAAZLLXRBZAJL-UHFFFAOYSA-N
MW465.55 g/mol
LogP5.47
Rot. Bonds4

About 4-[[3-(3-pyridin-3-ylphenoxazin-10-yl)-8-azabicyclo[3.2.1]octan-8-yl]methyl]-2H-furan-5-one

4-[[3-(3-pyridin-3-ylphenoxazin-10-yl)-8-azabicyclo[3.2.1]octan-8-yl]methyl]-2H-furan-5-one (PubChem CID 68915526) has the molecular formula C29H27N3O3 and a molecular weight of 465.55 g/mol. Its IUPAC name is 4-[[3-(3-pyridin-3-ylphenoxazin-10-yl)-8-azabicyclo[3.2.1]octan-8-yl]methyl]-2H-furan-5-one.

Molecular Properties

Compound Name4-[[3-(3-pyridin-3-ylphenoxazin-10-yl)-8-azabicyclo[3.2.1]octan-8-yl]methyl]-2H-furan-5-one
PubChem CID68915526
Molecular FormulaC29H27N3O3
Molecular Weight465.55 g/mol
Exact Mass465.21
IUPAC Name4-[[3-(3-pyridin-3-ylphenoxazin-10-yl)-8-azabicyclo[3.2.1]octan-8-yl]methyl]-2H-furan-5-one
SMILESO=C1OCC=C1CN1C2CCC1CC(N1c3ccccc3Oc3cc(-c4cccnc4)ccc31)C2
InChIInChI=1S/C29H27N3O3/c33-29-21(11-13-34-29)18-31-22-8-9-23(31)16-24(15-22)32-25-5-1-2-6-27(25)35-28-14-19(7-10-26(28)32)20-4-3-12-30-17-20/h1-7,10-12,14,17,22-24H,8-9,13,15-16,18H2
InChIKeyNZAAZLLXRBZAJL-UHFFFAOYSA-N
XLogP5.47
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.55
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[[3-(3-pyridin-3-ylphenoxazin-10-yl)-8-azabicyclo[3.2.1]octan-8-yl]methyl]-2H-furan-5-one with MolForge

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Launch Full Analysis

Related Compounds

3-pyridin-4-yl-10-[(1S,5R)-8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]phenoxazine
CID 59814684
10-[8-(furan-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-3-pyridin-4-ylphenoxazine
CID 11619300
8-(furan-3-ylmethyl)-3-(3-pyridin-3-yl-9H-xanthen-9-yl)-8-azabicyclo[3.2.1]octane
CID 11683799
N-[2-[10-[8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]phenoxazin-3-yl]phenyl]acetamide
CID 11526496
10-(8-azabicyclo[3.2.1]octan-3-yl)-3-pyridin-3-ylphenothiazine
CID 11703717
3-methyl-10-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)phenoxazine
CID 71055694
N,N-diethyl-10-[(1R,5S)-8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]phenoxazine-3-carboximidamide
CID 59814714
4-methyl-7-pyridin-3-yl-2,3-dihydro-1,4-benzoxazine
CID 25180102
4-[[(3R,3aS)-1-oxo-7-pyridin-3-yl-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-3-yl]methoxy]-4-oxobutanoic acid
CID 118486155
3-(9-piperidin-4-yl-9H-xanthen-3-yl)pyridine
CID 11624309
3-[10-[1-(furan-3-ylmethyl)piperidin-4-yl]phenoxazin-3-yl]-2,5-dihydro-1,2,4-oxadiazin-6-one
CID 143259670
tert-butyl (1R,5S)-3-[3-(2-acetamidophenyl)phenoxazin-10-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 59814688

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(3-pyridin-3-ylphenoxazin-10-yl)-8-azabicyclo[3.2.1]octan-8-yl]methyl]-2H-furan-5-one?
The IUPAC name of 4-[[3-(3-pyridin-3-ylphenoxazin-10-yl)-8-azabicyclo[3.2.1]octan-8-yl]methyl]-2H-furan-5-one (CID 68915526) is 4-[[3-(3-pyridin-3-ylphenoxazin-10-yl)-8-azabicyclo[3.2.1]octan-8-yl]methyl]-2H-furan-5-one.
What is the SMILES notation for 4-[[3-(3-pyridin-3-ylphenoxazin-10-yl)-8-azabicyclo[3.2.1]octan-8-yl]methyl]-2H-furan-5-one?
The canonical SMILES for 4-[[3-(3-pyridin-3-ylphenoxazin-10-yl)-8-azabicyclo[3.2.1]octan-8-yl]methyl]-2H-furan-5-one is O=C1OCC=C1CN1C2CCC1CC(N1c3ccccc3Oc3cc(-c4cccnc4)ccc31)C2.
What is the InChIKey of 4-[[3-(3-pyridin-3-ylphenoxazin-10-yl)-8-azabicyclo[3.2.1]octan-8-yl]methyl]-2H-furan-5-one?
The InChIKey is NZAAZLLXRBZAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O3/c33-29-21(11-13-34-29)18-31-22-8-9-23(31)16-24(15-22)32-25-5-1-2-6-27(25)35-28-14-19(7-10-26(28)32)20-4-3-12-30-17-20/h1-7,10-12,14,17,22-24H,8-9,13,15-16,18H2.
What are the key properties of 4-[[3-(3-pyridin-3-ylphenoxazin-10-yl)-8-azabicyclo[3.2.1]octan-8-yl]methyl]-2H-furan-5-one?
4-[[3-(3-pyridin-3-ylphenoxazin-10-yl)-8-azabicyclo[3.2.1]octan-8-yl]methyl]-2H-furan-5-one has a molecular weight of 465.55 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(3-pyridin-3-ylphenoxazin-10-yl)-8-azabicyclo[3.2.1]octan-8-yl]methyl]-2H-furan-5-one is sourced from PubChem (CID 68915526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).