4-[1-[(2,3-dimethyl-1H-indol-7-yl)methyl]azetidin-3-yl]morpholine

C18H25N3O — CID 77085757

IUPAC4-[1-[(2,3-dimethyl-1H-indol-7-yl)methyl]azetidin-3-yl]morpholine
SMILESCc1[nH]c2c(CN3CC(N4CCOCC4)C3)cccc2c1C
InChIInChI=1S/C18H25N3O/c1-13-14(2)19-18-15(4-3-5-17(13)18)10-20-11-16(12-20)21-6-8-22-9-7-21/h3-5,16,19H,6-12H2,1-2H3
InChIKeyGQIDXXRDICDTQK-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.30
Rot. Bonds3

About 4-[1-[(2,3-dimethyl-1H-indol-7-yl)methyl]azetidin-3-yl]morpholine

4-[1-[(2,3-dimethyl-1H-indol-7-yl)methyl]azetidin-3-yl]morpholine (PubChem CID 77085757) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 4-[1-[(2,3-dimethyl-1H-indol-7-yl)methyl]azetidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[1-[(2,3-dimethyl-1H-indol-7-yl)methyl]azetidin-3-yl]morpholine
PubChem CID77085757
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name4-[1-[(2,3-dimethyl-1H-indol-7-yl)methyl]azetidin-3-yl]morpholine
SMILESCc1[nH]c2c(CN3CC(N4CCOCC4)C3)cccc2c1C
InChIInChI=1S/C18H25N3O/c1-13-14(2)19-18-15(4-3-5-17(13)18)10-20-11-16(12-20)21-6-8-22-9-7-21/h3-5,16,19H,6-12H2,1-2H3
InChIKeyGQIDXXRDICDTQK-UHFFFAOYSA-N
XLogP2.30
TPSA31.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2,3-dimethyl-1H-indol-7-yl)methyl]azetidin-3-yl]morpholine?
The IUPAC name of 4-[1-[(2,3-dimethyl-1H-indol-7-yl)methyl]azetidin-3-yl]morpholine (CID 77085757) is 4-[1-[(2,3-dimethyl-1H-indol-7-yl)methyl]azetidin-3-yl]morpholine.
What is the SMILES notation for 4-[1-[(2,3-dimethyl-1H-indol-7-yl)methyl]azetidin-3-yl]morpholine?
The canonical SMILES for 4-[1-[(2,3-dimethyl-1H-indol-7-yl)methyl]azetidin-3-yl]morpholine is Cc1[nH]c2c(CN3CC(N4CCOCC4)C3)cccc2c1C.
What is the InChIKey of 4-[1-[(2,3-dimethyl-1H-indol-7-yl)methyl]azetidin-3-yl]morpholine?
The InChIKey is GQIDXXRDICDTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-13-14(2)19-18-15(4-3-5-17(13)18)10-20-11-16(12-20)21-6-8-22-9-7-21/h3-5,16,19H,6-12H2,1-2H3.
What are the key properties of 4-[1-[(2,3-dimethyl-1H-indol-7-yl)methyl]azetidin-3-yl]morpholine?
4-[1-[(2,3-dimethyl-1H-indol-7-yl)methyl]azetidin-3-yl]morpholine has a molecular weight of 299.42 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2,3-dimethyl-1H-indol-7-yl)methyl]azetidin-3-yl]morpholine is sourced from PubChem (CID 77085757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).