methyl 4-chloro-3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-1H-indole-2-carboxylate

C18H22ClN3O4 — CID 3315101

IUPACmethyl 4-chloro-3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)CN1CC(C)OC(C)C1
InChIInChI=1S/C18H22ClN3O4/c1-10-7-22(8-11(2)26-10)9-14(23)21-16-15-12(19)5-4-6-13(15)20-17(16)18(24)25-3/h4-6,10-11,20H,7-9H2,1-3H3,(H,21,23)
InChIKeyQDTOPUFDAJCWCZ-UHFFFAOYSA-N
MW379.84 g/mol
LogP2.66
Rot. Bonds4

About methyl 4-chloro-3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-1H-indole-2-carboxylate

methyl 4-chloro-3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-1H-indole-2-carboxylate (PubChem CID 3315101) has the molecular formula C18H22ClN3O4 and a molecular weight of 379.84 g/mol. Its IUPAC name is methyl 4-chloro-3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-1H-indole-2-carboxylate
PubChem CID3315101
Molecular FormulaC18H22ClN3O4
Molecular Weight379.84 g/mol
Exact Mass379.13
IUPAC Namemethyl 4-chloro-3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)CN1CC(C)OC(C)C1
InChIInChI=1S/C18H22ClN3O4/c1-10-7-22(8-11(2)26-10)9-14(23)21-16-15-12(19)5-4-6-13(15)20-17(16)18(24)25-3/h4-6,10-11,20H,7-9H2,1-3H3,(H,21,23)
InChIKeyQDTOPUFDAJCWCZ-UHFFFAOYSA-N
XLogP2.66
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.84
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 4-chloro-3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-1H-indole-2-carboxylate with MolForge

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Related Compounds

methyl 3-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]-4-methyl-1H-indole-2-carboxylate
CID 7714437
methyl 4-chloro-3-[[2-[4-(4-fluorophenyl)piperazin-1-yl]acetyl]amino]-1H-indole-2-carboxylate
CID 1392405
methyl 4-chloro-3-[[2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]acetyl]amino]-1H-indole-2-carboxylate
CID 7562282
methyl 4-chloro-3-[[2-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]acetyl]amino]-1H-indole-2-carboxylate
CID 2023671
methyl 4-methoxy-3-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-1H-indole-2-carboxylate
CID 2004173
methyl 4-methyl-3-[[2-(2-methylpiperidin-1-yl)acetyl]amino]-1H-indole-2-carboxylate
CID 4663468
methyl 3-[[2-(azepan-1-yl)acetyl]amino]-1H-indole-2-carboxylate
CID 658228
methyl 3-[[2-[4-(2-fluorophenyl)piperazin-1-yl]acetyl]amino]-4-methyl-1H-indole-2-carboxylate
CID 2042049
methyl 3-[[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]-4-methylbenzoate
CID 8898920
N-(2-chlorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide
CID 102935529
N-(5-chloro-2-methoxyphenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide
CID 2088175
N-[5-[(2,6-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide
CID 7454397

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-1H-indole-2-carboxylate?
The IUPAC name of methyl 4-chloro-3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-1H-indole-2-carboxylate (CID 3315101) is methyl 4-chloro-3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 4-chloro-3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-1H-indole-2-carboxylate?
The canonical SMILES for methyl 4-chloro-3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-1H-indole-2-carboxylate is COC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)CN1CC(C)OC(C)C1.
What is the InChIKey of methyl 4-chloro-3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-1H-indole-2-carboxylate?
The InChIKey is QDTOPUFDAJCWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O4/c1-10-7-22(8-11(2)26-10)9-14(23)21-16-15-12(19)5-4-6-13(15)20-17(16)18(24)25-3/h4-6,10-11,20H,7-9H2,1-3H3,(H,21,23).
What are the key properties of methyl 4-chloro-3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-1H-indole-2-carboxylate?
methyl 4-chloro-3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-1H-indole-2-carboxylate has a molecular weight of 379.84 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-1H-indole-2-carboxylate is sourced from PubChem (CID 3315101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).