3-[3-oxo-3-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propyl]quinazolin-4-one

C23H24N4O3 — CID 121186033

IUPAC3-[3-oxo-3-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propyl]quinazolin-4-one
SMILESO=C(CCn1cnc2ccccc2c1=O)N1C2CCC1CC(Oc1cccnc1)C2
InChIInChI=1S/C23H24N4O3/c28-22(9-11-26-15-25-21-6-2-1-5-20(21)23(26)29)27-16-7-8-17(27)13-19(12-16)30-18-4-3-10-24-14-18/h1-6,10,14-17,19H,7-9,11-13H2
InChIKeyPOEFVCSXNBOYKX-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.78
Rot. Bonds5

About 3-[3-oxo-3-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propyl]quinazolin-4-one

3-[3-oxo-3-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propyl]quinazolin-4-one (PubChem CID 121186033) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 3-[3-oxo-3-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[3-oxo-3-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propyl]quinazolin-4-one
PubChem CID121186033
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name3-[3-oxo-3-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propyl]quinazolin-4-one
SMILESO=C(CCn1cnc2ccccc2c1=O)N1C2CCC1CC(Oc1cccnc1)C2
InChIInChI=1S/C23H24N4O3/c28-22(9-11-26-15-25-21-6-2-1-5-20(21)23(26)29)27-16-7-8-17(27)13-19(12-16)30-18-4-3-10-24-14-18/h1-6,10,14-17,19H,7-9,11-13H2
InChIKeyPOEFVCSXNBOYKX-UHFFFAOYSA-N
XLogP2.78
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[3-oxo-3-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propyl]quinazolin-4-one with MolForge

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Related Compounds

3-[3-[(1R,5S)-3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl]-3-oxopropyl]quinazolin-4-one
CID 129373882
3-[3-oxo-3-[3-(triazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]quinazolin-4-one
CID 126850611
3-[3-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 90566265
3-[3-oxo-3-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]propyl]quinazolin-4-one
CID 100644820
6-cyclopropyl-3-[2-oxo-2-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]pyrimidin-4-one
CID 121186167
3-[4-oxo-4-[(3R)-3-phenoxypyrrolidin-1-yl]butyl]quinazolin-4-one
CID 126426727
3-(4-methoxyphenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 121185911
3-[3-oxo-3-(4-pyridazin-3-yloxypiperidin-1-yl)propyl]quinazolin-4-one
CID 71799340
phenyl (1S,5S)-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 129357029
2-(2-methoxyphenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 119103733
pyridin-2-yl-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121185862
2-(4-chlorophenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 121185901

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-3-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propyl]quinazolin-4-one?
The IUPAC name of 3-[3-oxo-3-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propyl]quinazolin-4-one (CID 121186033) is 3-[3-oxo-3-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propyl]quinazolin-4-one.
What is the SMILES notation for 3-[3-oxo-3-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propyl]quinazolin-4-one?
The canonical SMILES for 3-[3-oxo-3-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propyl]quinazolin-4-one is O=C(CCn1cnc2ccccc2c1=O)N1C2CCC1CC(Oc1cccnc1)C2.
What is the InChIKey of 3-[3-oxo-3-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propyl]quinazolin-4-one?
The InChIKey is POEFVCSXNBOYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c28-22(9-11-26-15-25-21-6-2-1-5-20(21)23(26)29)27-16-7-8-17(27)13-19(12-16)30-18-4-3-10-24-14-18/h1-6,10,14-17,19H,7-9,11-13H2.
What are the key properties of 3-[3-oxo-3-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propyl]quinazolin-4-one?
3-[3-oxo-3-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propyl]quinazolin-4-one has a molecular weight of 404.47 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-3-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propyl]quinazolin-4-one is sourced from PubChem (CID 121186033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).