(5,6-dimethoxy-1H-indol-2-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone

C17H22N2O4 — CID 7618198

IUPAC(5,6-dimethoxy-1H-indol-2-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
SMILESCOc1cc2cc(C(=O)N3C[C@H](C)O[C@@H](C)C3)[nH]c2cc1OC
InChIInChI=1S/C17H22N2O4/c1-10-8-19(9-11(2)23-10)17(20)14-5-12-6-15(21-3)16(22-4)7-13(12)18-14/h5-7,10-11,18H,8-9H2,1-4H3/t10-,11-/m0/s1
InChIKeyQMDYVGJKKKOZQO-QWRGUYRKSA-N
MW318.37 g/mol
LogP2.43
Rot. Bonds3

About (5,6-dimethoxy-1H-indol-2-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone

(5,6-dimethoxy-1H-indol-2-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone (PubChem CID 7618198) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is (5,6-dimethoxy-1H-indol-2-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(5,6-dimethoxy-1H-indol-2-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
PubChem CID7618198
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name(5,6-dimethoxy-1H-indol-2-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
SMILESCOc1cc2cc(C(=O)N3C[C@H](C)O[C@@H](C)C3)[nH]c2cc1OC
InChIInChI=1S/C17H22N2O4/c1-10-8-19(9-11(2)23-10)17(20)14-5-12-6-15(21-3)16(22-4)7-13(12)18-14/h5-7,10-11,18H,8-9H2,1-4H3/t10-,11-/m0/s1
InChIKeyQMDYVGJKKKOZQO-QWRGUYRKSA-N
XLogP2.43
TPSA63.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5,6-dimethoxy-1H-indol-2-yl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 7618209
(2,6-dimethylmorpholin-4-yl)-(6-methoxy-1H-indol-2-yl)methanone
CID 4870192
(2,6-dimethylmorpholin-4-yl)-(5-fluoro-1H-indol-2-yl)methanone
CID 4905053
[(3R,4S)-3,4-bis(hydroxymethyl)-3,4-dimethylpyrrolidin-1-yl]-(5,6-dimethoxy-1H-indol-2-yl)methanone
CID 167896070
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(2,4,5-trimethoxyphenyl)methanone
CID 27232905
ethyl (3R)-1-(5,6-dimethoxy-1H-indole-2-carbonyl)piperidine-3-carboxylate
CID 7578621
[4-(4-chlorophenoxy)piperidin-1-yl]-(5,6-dimethoxy-1H-indol-2-yl)methanone
CID 67170444
(2,6-dimethylmorpholin-4-yl)-[5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-indol-2-yl]methanone
CID 69282920
(2,5-dimethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 39910406
(5-bromo-1H-indol-2-yl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 30787030
[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 25484027
5,6-dimethoxy-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-1H-indole-2-carboxamide
CID 7645250

Frequently Asked Questions

What is the IUPAC name of (5,6-dimethoxy-1H-indol-2-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The IUPAC name of (5,6-dimethoxy-1H-indol-2-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone (CID 7618198) is (5,6-dimethoxy-1H-indol-2-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for (5,6-dimethoxy-1H-indol-2-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for (5,6-dimethoxy-1H-indol-2-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone is COc1cc2cc(C(=O)N3C[C@H](C)O[C@@H](C)C3)[nH]c2cc1OC.
What is the InChIKey of (5,6-dimethoxy-1H-indol-2-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The InChIKey is QMDYVGJKKKOZQO-QWRGUYRKSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-10-8-19(9-11(2)23-10)17(20)14-5-12-6-15(21-3)16(22-4)7-13(12)18-14/h5-7,10-11,18H,8-9H2,1-4H3/t10-,11-/m0/s1.
What are the key properties of (5,6-dimethoxy-1H-indol-2-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone?
(5,6-dimethoxy-1H-indol-2-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone has a molecular weight of 318.37 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-dimethoxy-1H-indol-2-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 7618198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).