8-methoxy-3-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carbonyl)chromen-2-one

C23H22N2O5 — CID 121195530

IUPAC8-methoxy-3-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carbonyl)chromen-2-one
SMILESCOc1cccc2cc(C(=O)N3C4CCC3CC(Oc3ccccn3)C4)c(=O)oc12
InChIInChI=1S/C23H22N2O5/c1-28-19-6-4-5-14-11-18(23(27)30-21(14)19)22(26)25-15-8-9-16(25)13-17(12-15)29-20-7-2-3-10-24-20/h2-7,10-11,15-17H,8-9,12-13H2,1H3
InChIKeyWXITVTUCYKZTCM-UHFFFAOYSA-N
MW406.44 g/mol
LogP3.41
Rot. Bonds4

About 8-methoxy-3-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carbonyl)chromen-2-one

8-methoxy-3-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carbonyl)chromen-2-one (PubChem CID 121195530) has the molecular formula C23H22N2O5 and a molecular weight of 406.44 g/mol. Its IUPAC name is 8-methoxy-3-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carbonyl)chromen-2-one.

Molecular Properties

Compound Name8-methoxy-3-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carbonyl)chromen-2-one
PubChem CID121195530
Molecular FormulaC23H22N2O5
Molecular Weight406.44 g/mol
Exact Mass406.15
IUPAC Name8-methoxy-3-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carbonyl)chromen-2-one
SMILESCOc1cccc2cc(C(=O)N3C4CCC3CC(Oc3ccccn3)C4)c(=O)oc12
InChIInChI=1S/C23H22N2O5/c1-28-19-6-4-5-14-11-18(23(27)30-21(14)19)22(26)25-15-8-9-16(25)13-17(12-15)29-20-7-2-3-10-24-20/h2-7,10-11,15-17H,8-9,12-13H2,1H3
InChIKeyWXITVTUCYKZTCM-UHFFFAOYSA-N
XLogP3.41
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 8-methoxy-3-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carbonyl)chromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-methoxy-3-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carbonyl]chromen-2-one
CID 121178275
8-methoxy-3-(4-pyridazin-3-yloxypiperidine-1-carbonyl)chromen-2-one
CID 71799381
3-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]-8-methoxychromen-2-one
CID 1070822
3-(2,6-dimethylpiperidine-1-carbonyl)-8-methoxychromen-2-one
CID 3137792
(3-fluoro-4-methoxyphenyl)-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121022249
8-methoxy-3-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]chromen-2-one
CID 122251462
2-[1-(8-methoxy-2-oxochromene-3-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252443
(3,4-dimethylphenyl)-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121195475
(2,4-dichlorophenyl)-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121195460
3-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-8-methoxychromen-2-one
CID 2146242
3-[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidine-1-carbonyl]-8-methoxychromen-2-one
CID 121017574
1-benzothiophen-2-yl-[(1S,5S)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 129356016

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carbonyl)chromen-2-one?
The IUPAC name of 8-methoxy-3-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carbonyl)chromen-2-one (CID 121195530) is 8-methoxy-3-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carbonyl)chromen-2-one.
What is the SMILES notation for 8-methoxy-3-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carbonyl)chromen-2-one?
The canonical SMILES for 8-methoxy-3-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carbonyl)chromen-2-one is COc1cccc2cc(C(=O)N3C4CCC3CC(Oc3ccccn3)C4)c(=O)oc12.
What is the InChIKey of 8-methoxy-3-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carbonyl)chromen-2-one?
The InChIKey is WXITVTUCYKZTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5/c1-28-19-6-4-5-14-11-18(23(27)30-21(14)19)22(26)25-15-8-9-16(25)13-17(12-15)29-20-7-2-3-10-24-20/h2-7,10-11,15-17H,8-9,12-13H2,1H3.
What are the key properties of 8-methoxy-3-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carbonyl)chromen-2-one?
8-methoxy-3-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carbonyl)chromen-2-one has a molecular weight of 406.44 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carbonyl)chromen-2-one is sourced from PubChem (CID 121195530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).