methyl 6-methyl-3-[(2-morpholin-4-ylacetyl)amino]-1H-indole-2-carboxylate

C17H21N3O4 — CID 945362

IUPACmethyl 6-methyl-3-[(2-morpholin-4-ylacetyl)amino]-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)CN1CCOCC1
InChIInChI=1S/C17H21N3O4/c1-11-3-4-12-13(9-11)18-16(17(22)23-2)15(12)19-14(21)10-20-5-7-24-8-6-20/h3-4,9,18H,5-8,10H2,1-2H3,(H,19,21)
InChIKeyDIJNOOIJWNLANI-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.53
Rot. Bonds4

About methyl 6-methyl-3-[(2-morpholin-4-ylacetyl)amino]-1H-indole-2-carboxylate

methyl 6-methyl-3-[(2-morpholin-4-ylacetyl)amino]-1H-indole-2-carboxylate (PubChem CID 945362) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is methyl 6-methyl-3-[(2-morpholin-4-ylacetyl)amino]-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-methyl-3-[(2-morpholin-4-ylacetyl)amino]-1H-indole-2-carboxylate
PubChem CID945362
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Namemethyl 6-methyl-3-[(2-morpholin-4-ylacetyl)amino]-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)CN1CCOCC1
InChIInChI=1S/C17H21N3O4/c1-11-3-4-12-13(9-11)18-16(17(22)23-2)15(12)19-14(21)10-20-5-7-24-8-6-20/h3-4,9,18H,5-8,10H2,1-2H3,(H,19,21)
InChIKeyDIJNOOIJWNLANI-UHFFFAOYSA-N
XLogP1.53
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-methyl-3-[(2-morpholin-4-ylacetyl)amino]-1H-indole-2-carboxylate?
The IUPAC name of methyl 6-methyl-3-[(2-morpholin-4-ylacetyl)amino]-1H-indole-2-carboxylate (CID 945362) is methyl 6-methyl-3-[(2-morpholin-4-ylacetyl)amino]-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 6-methyl-3-[(2-morpholin-4-ylacetyl)amino]-1H-indole-2-carboxylate?
The canonical SMILES for methyl 6-methyl-3-[(2-morpholin-4-ylacetyl)amino]-1H-indole-2-carboxylate is COC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)CN1CCOCC1.
What is the InChIKey of methyl 6-methyl-3-[(2-morpholin-4-ylacetyl)amino]-1H-indole-2-carboxylate?
The InChIKey is DIJNOOIJWNLANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-11-3-4-12-13(9-11)18-16(17(22)23-2)15(12)19-14(21)10-20-5-7-24-8-6-20/h3-4,9,18H,5-8,10H2,1-2H3,(H,19,21).
What are the key properties of methyl 6-methyl-3-[(2-morpholin-4-ylacetyl)amino]-1H-indole-2-carboxylate?
methyl 6-methyl-3-[(2-morpholin-4-ylacetyl)amino]-1H-indole-2-carboxylate has a molecular weight of 331.37 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methyl-3-[(2-morpholin-4-ylacetyl)amino]-1H-indole-2-carboxylate is sourced from PubChem (CID 945362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).