4-[1-(1H-indole-6-carbonyl)azetidin-3-yl]oxy-6-methylpyran-2-one

C18H16N2O4 — CID 121155565

IUPAC4-[1-(1H-indole-6-carbonyl)azetidin-3-yl]oxy-6-methylpyran-2-one
SMILESCc1cc(OC2CN(C(=O)c3ccc4cc[nH]c4c3)C2)cc(=O)o1
InChIInChI=1S/C18H16N2O4/c1-11-6-14(8-17(21)23-11)24-15-9-20(10-15)18(22)13-3-2-12-4-5-19-16(12)7-13/h2-8,15,19H,9-10H2,1H3
InChIKeyHZRWREMNIMCGDH-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.33
Rot. Bonds3

About 4-[1-(1H-indole-6-carbonyl)azetidin-3-yl]oxy-6-methylpyran-2-one

4-[1-(1H-indole-6-carbonyl)azetidin-3-yl]oxy-6-methylpyran-2-one (PubChem CID 121155565) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 4-[1-(1H-indole-6-carbonyl)azetidin-3-yl]oxy-6-methylpyran-2-one.

Molecular Properties

Compound Name4-[1-(1H-indole-6-carbonyl)azetidin-3-yl]oxy-6-methylpyran-2-one
PubChem CID121155565
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name4-[1-(1H-indole-6-carbonyl)azetidin-3-yl]oxy-6-methylpyran-2-one
SMILESCc1cc(OC2CN(C(=O)c3ccc4cc[nH]c4c3)C2)cc(=O)o1
InChIInChI=1S/C18H16N2O4/c1-11-6-14(8-17(21)23-11)24-15-9-20(10-15)18(22)13-3-2-12-4-5-19-16(12)7-13/h2-8,15,19H,9-10H2,1H3
InChIKeyHZRWREMNIMCGDH-UHFFFAOYSA-N
XLogP2.33
TPSA75.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(2H-benzotriazole-5-carbonyl)azetidin-3-yl]oxy-6-methylpyran-2-one
CID 121155573
4-[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]oxy-6-methylpyran-2-one
CID 121155632
4-[1-(2,4-dimethylbenzoyl)azetidin-3-yl]oxy-6-methylpyran-2-one
CID 121155598
4-[1-[4-(4-fluorophenyl)-1H-pyrrole-2-carbonyl]azetidin-3-yl]oxy-6-methylpyran-2-one
CID 121155545
1-cyclopropyl-4-[1-(1H-indole-5-carbonyl)azetidin-3-yl]oxy-6-methylpyridin-2-one
CID 121155971
4-[1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]azetidin-3-yl]oxy-6-methylpyran-2-one
CID 121155625
4-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]oxy-6-methylpyran-2-one
CID 90629098
4-[1-(4-butoxybenzoyl)piperidin-4-yl]oxy-6-methylpyran-2-one
CID 90628996
4-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]oxy-6-methylpyran-2-one
CID 90628963
4-[1-(6-methoxy-1H-indole-2-carbonyl)pyrrolidin-3-yl]oxy-6-methylpyran-2-one
CID 90628768
6-methyl-4-[1-(quinoline-2-carbonyl)pyrrolidin-3-yl]oxypyran-2-one
CID 90628747
[3-(2-ethylphenoxy)azetidin-1-yl]-(1H-indol-5-yl)methanone
CID 70779616

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1H-indole-6-carbonyl)azetidin-3-yl]oxy-6-methylpyran-2-one?
The IUPAC name of 4-[1-(1H-indole-6-carbonyl)azetidin-3-yl]oxy-6-methylpyran-2-one (CID 121155565) is 4-[1-(1H-indole-6-carbonyl)azetidin-3-yl]oxy-6-methylpyran-2-one.
What is the SMILES notation for 4-[1-(1H-indole-6-carbonyl)azetidin-3-yl]oxy-6-methylpyran-2-one?
The canonical SMILES for 4-[1-(1H-indole-6-carbonyl)azetidin-3-yl]oxy-6-methylpyran-2-one is Cc1cc(OC2CN(C(=O)c3ccc4cc[nH]c4c3)C2)cc(=O)o1.
What is the InChIKey of 4-[1-(1H-indole-6-carbonyl)azetidin-3-yl]oxy-6-methylpyran-2-one?
The InChIKey is HZRWREMNIMCGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-11-6-14(8-17(21)23-11)24-15-9-20(10-15)18(22)13-3-2-12-4-5-19-16(12)7-13/h2-8,15,19H,9-10H2,1H3.
What are the key properties of 4-[1-(1H-indole-6-carbonyl)azetidin-3-yl]oxy-6-methylpyran-2-one?
4-[1-(1H-indole-6-carbonyl)azetidin-3-yl]oxy-6-methylpyran-2-one has a molecular weight of 324.34 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1H-indole-6-carbonyl)azetidin-3-yl]oxy-6-methylpyran-2-one is sourced from PubChem (CID 121155565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).