2-(3-pyridin-2-yloxyazetidine-1-carbonyl)chromen-4-one

C18H14N2O4 — CID 122247215

IUPAC2-(3-pyridin-2-yloxyazetidine-1-carbonyl)chromen-4-one
SMILESO=C(c1cc(=O)c2ccccc2o1)N1CC(Oc2ccccn2)C1
InChIInChI=1S/C18H14N2O4/c21-14-9-16(24-15-6-2-1-5-13(14)15)18(22)20-10-12(11-20)23-17-7-3-4-8-19-17/h1-9,12H,10-11H2
InChIKeyHNRYRIIDHXHMHU-UHFFFAOYSA-N
MW322.32 g/mol
LogP2.09
Rot. Bonds3

About 2-(3-pyridin-2-yloxyazetidine-1-carbonyl)chromen-4-one

2-(3-pyridin-2-yloxyazetidine-1-carbonyl)chromen-4-one (PubChem CID 122247215) has the molecular formula C18H14N2O4 and a molecular weight of 322.32 g/mol. Its IUPAC name is 2-(3-pyridin-2-yloxyazetidine-1-carbonyl)chromen-4-one.

Molecular Properties

Compound Name2-(3-pyridin-2-yloxyazetidine-1-carbonyl)chromen-4-one
PubChem CID122247215
Molecular FormulaC18H14N2O4
Molecular Weight322.32 g/mol
Exact Mass322.10
IUPAC Name2-(3-pyridin-2-yloxyazetidine-1-carbonyl)chromen-4-one
SMILESO=C(c1cc(=O)c2ccccc2o1)N1CC(Oc2ccccn2)C1
InChIInChI=1S/C18H14N2O4/c21-14-9-16(24-15-6-2-1-5-13(14)15)18(22)20-10-12(11-20)23-17-7-3-4-8-19-17/h1-9,12H,10-11H2
InChIKeyHNRYRIIDHXHMHU-UHFFFAOYSA-N
XLogP2.09
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-pyrimidin-4-yloxypiperidine-1-carbonyl)chromen-4-one
CID 122259866
2-(3-pyridin-4-yloxypiperidine-1-carbonyl)chromen-4-one
CID 122255813
2-[3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carbonyl]chromen-4-one
CID 90638745
2-[(3R,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]chromen-4-one
CID 96512747
2-(3-amino-5-methylpiperidine-1-carbonyl)chromen-4-one
CID 79990732
(2-chlorophenyl)-(3-pyridin-2-yloxyazetidin-1-yl)methanone
CID 122247119
2-[(3R)-3-ethoxypiperidine-1-carbonyl]chromen-4-one
CID 95582758
2-[(3S)-3-ethoxypiperidine-1-carbonyl]chromen-4-one
CID 95582759
2-[3-(1-aminoethyl)pyrrolidine-1-carbonyl]chromen-4-one
CID 115969507
2-[3-(2-methyl-6-oxopyran-4-yl)oxypyrrolidine-1-carbonyl]chromen-4-one
CID 90628576
(4-methylphenyl)-(3-pyridin-2-yloxyazetidin-1-yl)methanone
CID 122247097
2-(4-methylpiperidine-1-carbonyl)chromen-4-one
CID 26773752

Frequently Asked Questions

What is the IUPAC name of 2-(3-pyridin-2-yloxyazetidine-1-carbonyl)chromen-4-one?
The IUPAC name of 2-(3-pyridin-2-yloxyazetidine-1-carbonyl)chromen-4-one (CID 122247215) is 2-(3-pyridin-2-yloxyazetidine-1-carbonyl)chromen-4-one.
What is the SMILES notation for 2-(3-pyridin-2-yloxyazetidine-1-carbonyl)chromen-4-one?
The canonical SMILES for 2-(3-pyridin-2-yloxyazetidine-1-carbonyl)chromen-4-one is O=C(c1cc(=O)c2ccccc2o1)N1CC(Oc2ccccn2)C1.
What is the InChIKey of 2-(3-pyridin-2-yloxyazetidine-1-carbonyl)chromen-4-one?
The InChIKey is HNRYRIIDHXHMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4/c21-14-9-16(24-15-6-2-1-5-13(14)15)18(22)20-10-12(11-20)23-17-7-3-4-8-19-17/h1-9,12H,10-11H2.
What are the key properties of 2-(3-pyridin-2-yloxyazetidine-1-carbonyl)chromen-4-one?
2-(3-pyridin-2-yloxyazetidine-1-carbonyl)chromen-4-one has a molecular weight of 322.32 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyridin-2-yloxyazetidine-1-carbonyl)chromen-4-one is sourced from PubChem (CID 122247215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).