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

C19H18N2O5 — CID 121155632

IUPAC4-[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]oxy-6-methylpyran-2-one
SMILESCOc1ccc2cc(C(=O)N3CC(Oc4cc(C)oc(=O)c4)C3)[nH]c2c1
InChIInChI=1S/C19H18N2O5/c1-11-5-14(8-18(22)25-11)26-15-9-21(10-15)19(23)17-6-12-3-4-13(24-2)7-16(12)20-17/h3-8,15,20H,9-10H2,1-2H3
InChIKeyNOYSHYUMLLNZAF-UHFFFAOYSA-N
MW354.36 g/mol
LogP2.34
Rot. Bonds4

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

4-[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]oxy-6-methylpyran-2-one (PubChem CID 121155632) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is 4-[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]oxy-6-methylpyran-2-one.

Molecular Properties

Compound Name4-[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]oxy-6-methylpyran-2-one
PubChem CID121155632
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name4-[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]oxy-6-methylpyran-2-one
SMILESCOc1ccc2cc(C(=O)N3CC(Oc4cc(C)oc(=O)c4)C3)[nH]c2c1
InChIInChI=1S/C19H18N2O5/c1-11-5-14(8-18(22)25-11)26-15-9-21(10-15)19(23)17-6-12-3-4-13(24-2)7-16(12)20-17/h3-8,15,20H,9-10H2,1-2H3
InChIKeyNOYSHYUMLLNZAF-UHFFFAOYSA-N
XLogP2.34
TPSA84.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]oxy-6-methylpyran-2-one?
The IUPAC name of 4-[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]oxy-6-methylpyran-2-one (CID 121155632) is 4-[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]oxy-6-methylpyran-2-one.
What is the SMILES notation for 4-[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]oxy-6-methylpyran-2-one?
The canonical SMILES for 4-[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]oxy-6-methylpyran-2-one is COc1ccc2cc(C(=O)N3CC(Oc4cc(C)oc(=O)c4)C3)[nH]c2c1.
What is the InChIKey of 4-[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]oxy-6-methylpyran-2-one?
The InChIKey is NOYSHYUMLLNZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-11-5-14(8-18(22)25-11)26-15-9-21(10-15)19(23)17-6-12-3-4-13(24-2)7-16(12)20-17/h3-8,15,20H,9-10H2,1-2H3.
What are the key properties of 4-[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]oxy-6-methylpyran-2-one?
4-[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]oxy-6-methylpyran-2-one has a molecular weight of 354.36 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]oxy-6-methylpyran-2-one is sourced from PubChem (CID 121155632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).