(6-methoxy-3-methyl-1H-indol-2-yl)-morpholin-4-ylmethanone

C15H18N2O3 — CID 113205390

IUPAC(6-methoxy-3-methyl-1H-indol-2-yl)-morpholin-4-ylmethanone
SMILESCOc1ccc2c(C)c(C(=O)N3CCOCC3)[nH]c2c1
InChIInChI=1S/C15H18N2O3/c1-10-12-4-3-11(19-2)9-13(12)16-14(10)15(18)17-5-7-20-8-6-17/h3-4,9,16H,5-8H2,1-2H3
InChIKeyWLLPHCNCVQNSAG-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.96
Rot. Bonds2

About (6-methoxy-3-methyl-1H-indol-2-yl)-morpholin-4-ylmethanone

(6-methoxy-3-methyl-1H-indol-2-yl)-morpholin-4-ylmethanone (PubChem CID 113205390) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is (6-methoxy-3-methyl-1H-indol-2-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(6-methoxy-3-methyl-1H-indol-2-yl)-morpholin-4-ylmethanone
PubChem CID113205390
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name(6-methoxy-3-methyl-1H-indol-2-yl)-morpholin-4-ylmethanone
SMILESCOc1ccc2c(C)c(C(=O)N3CCOCC3)[nH]c2c1
InChIInChI=1S/C15H18N2O3/c1-10-12-4-3-11(19-2)9-13(12)16-14(10)15(18)17-5-7-20-8-6-17/h3-4,9,16H,5-8H2,1-2H3
InChIKeyWLLPHCNCVQNSAG-UHFFFAOYSA-N
XLogP1.96
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.96
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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Related Compounds

4-(6-methoxy-3-methyl-1H-indole-2-carbonyl)piperazine-1-carbaldehyde
CID 113205397
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methoxy-3-methyl-1H-indol-2-yl)methanone
CID 113205451
ethyl 2-(6-methoxy-3-methyl-1H-indol-2-yl)-2-oxoacetate
CID 115072762
[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(5-methoxy-3-methyl-1H-indol-2-yl)methanone
CID 56740155
(3,6-dimethyl-1H-indol-2-yl)-piperidin-1-ylmethanone
CID 113204953
5-methoxy-2-(piperidine-1-carbonyl)-1H-indole-3-diazonium
CID 10731761
(5-methoxy-3-methyl-1H-indol-2-yl)-[4-(thian-4-yl)piperazin-1-yl]methanone
CID 74244391
(3-amino-6-methoxy-1-benzothiophen-2-yl)-(1,4-oxazepan-4-yl)methanone
CID 81301846
(2-amino-5-methoxyphenyl)-(1,4-oxazepan-4-yl)methanone
CID 55152751
N-(furan-2-ylmethyl)-6-methoxy-3-methyl-1H-indole-2-carboxamide
CID 113205399
6-methoxy-N-[(4-methoxyphenyl)methyl]-3-methyl-1H-indole-2-carboxamide
CID 113205411
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-3-methyl-1H-indol-2-yl)methanone
CID 113205147

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-3-methyl-1H-indol-2-yl)-morpholin-4-ylmethanone?
The IUPAC name of (6-methoxy-3-methyl-1H-indol-2-yl)-morpholin-4-ylmethanone (CID 113205390) is (6-methoxy-3-methyl-1H-indol-2-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (6-methoxy-3-methyl-1H-indol-2-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (6-methoxy-3-methyl-1H-indol-2-yl)-morpholin-4-ylmethanone is COc1ccc2c(C)c(C(=O)N3CCOCC3)[nH]c2c1.
What is the InChIKey of (6-methoxy-3-methyl-1H-indol-2-yl)-morpholin-4-ylmethanone?
The InChIKey is WLLPHCNCVQNSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10-12-4-3-11(19-2)9-13(12)16-14(10)15(18)17-5-7-20-8-6-17/h3-4,9,16H,5-8H2,1-2H3.
What are the key properties of (6-methoxy-3-methyl-1H-indol-2-yl)-morpholin-4-ylmethanone?
(6-methoxy-3-methyl-1H-indol-2-yl)-morpholin-4-ylmethanone has a molecular weight of 274.32 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-3-methyl-1H-indol-2-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 113205390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).