methyl 4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]-1H-indole-2-carboxylate

C17H21N3O5 — CID 664620

IUPACmethyl 4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CN1CCOCC1
InChIInChI=1S/C17H21N3O5/c1-23-12-5-3-4-11-14(12)15(16(18-11)17(22)24-2)19-13(21)10-20-6-8-25-9-7-20/h3-5,18H,6-10H2,1-2H3,(H,19,21)
InChIKeyKVVUWSCTRMEERJ-UHFFFAOYSA-N
MW347.37 g/mol
LogP1.23
Rot. Bonds5

About methyl 4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]-1H-indole-2-carboxylate

methyl 4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]-1H-indole-2-carboxylate (PubChem CID 664620) has the molecular formula C17H21N3O5 and a molecular weight of 347.37 g/mol. Its IUPAC name is methyl 4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]-1H-indole-2-carboxylate
PubChem CID664620
Molecular FormulaC17H21N3O5
Molecular Weight347.37 g/mol
Exact Mass347.15
IUPAC Namemethyl 4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CN1CCOCC1
InChIInChI=1S/C17H21N3O5/c1-23-12-5-3-4-11-14(12)15(16(18-11)17(22)24-2)19-13(21)10-20-6-8-25-9-7-20/h3-5,18H,6-10H2,1-2H3,(H,19,21)
InChIKeyKVVUWSCTRMEERJ-UHFFFAOYSA-N
XLogP1.23
TPSA92.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]-1H-indole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]-1H-indole-2-carboxylate?
The IUPAC name of methyl 4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]-1H-indole-2-carboxylate (CID 664620) is methyl 4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]-1H-indole-2-carboxylate?
The canonical SMILES for methyl 4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]-1H-indole-2-carboxylate is COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CN1CCOCC1.
What is the InChIKey of methyl 4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]-1H-indole-2-carboxylate?
The InChIKey is KVVUWSCTRMEERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5/c1-23-12-5-3-4-11-14(12)15(16(18-11)17(22)24-2)19-13(21)10-20-6-8-25-9-7-20/h3-5,18H,6-10H2,1-2H3,(H,19,21).
What are the key properties of methyl 4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]-1H-indole-2-carboxylate?
methyl 4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]-1H-indole-2-carboxylate has a molecular weight of 347.37 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]-1H-indole-2-carboxylate is sourced from PubChem (CID 664620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).