1-(2-methoxyethyl)-4-(morpholine-4-carbonyl)indole-3-carbaldehyde

C17H20N2O4 — CID 86671616

IUPAC1-(2-methoxyethyl)-4-(morpholine-4-carbonyl)indole-3-carbaldehyde
SMILESCOCCn1cc(C=O)c2c(C(=O)N3CCOCC3)cccc21
InChIInChI=1S/C17H20N2O4/c1-22-8-5-19-11-13(12-20)16-14(3-2-4-15(16)19)17(21)18-6-9-23-10-7-18/h2-4,11-12H,5-10H2,1H3
InChIKeyXQKSKURDXRJMTL-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.57
Rot. Bonds5

About 1-(2-methoxyethyl)-4-(morpholine-4-carbonyl)indole-3-carbaldehyde

1-(2-methoxyethyl)-4-(morpholine-4-carbonyl)indole-3-carbaldehyde (PubChem CID 86671616) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-(morpholine-4-carbonyl)indole-3-carbaldehyde.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-(morpholine-4-carbonyl)indole-3-carbaldehyde
PubChem CID86671616
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name1-(2-methoxyethyl)-4-(morpholine-4-carbonyl)indole-3-carbaldehyde
SMILESCOCCn1cc(C=O)c2c(C(=O)N3CCOCC3)cccc21
InChIInChI=1S/C17H20N2O4/c1-22-8-5-19-11-13(12-20)16-14(3-2-4-15(16)19)17(21)18-6-9-23-10-7-18/h2-4,11-12H,5-10H2,1H3
InChIKeyXQKSKURDXRJMTL-UHFFFAOYSA-N
XLogP1.57
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-(morpholine-4-carbonyl)indole-3-carbaldehyde?
The IUPAC name of 1-(2-methoxyethyl)-4-(morpholine-4-carbonyl)indole-3-carbaldehyde (CID 86671616) is 1-(2-methoxyethyl)-4-(morpholine-4-carbonyl)indole-3-carbaldehyde.
What is the SMILES notation for 1-(2-methoxyethyl)-4-(morpholine-4-carbonyl)indole-3-carbaldehyde?
The canonical SMILES for 1-(2-methoxyethyl)-4-(morpholine-4-carbonyl)indole-3-carbaldehyde is COCCn1cc(C=O)c2c(C(=O)N3CCOCC3)cccc21.
What is the InChIKey of 1-(2-methoxyethyl)-4-(morpholine-4-carbonyl)indole-3-carbaldehyde?
The InChIKey is XQKSKURDXRJMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-22-8-5-19-11-13(12-20)16-14(3-2-4-15(16)19)17(21)18-6-9-23-10-7-18/h2-4,11-12H,5-10H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-4-(morpholine-4-carbonyl)indole-3-carbaldehyde?
1-(2-methoxyethyl)-4-(morpholine-4-carbonyl)indole-3-carbaldehyde has a molecular weight of 316.36 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-(morpholine-4-carbonyl)indole-3-carbaldehyde is sourced from PubChem (CID 86671616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).