2-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine-4-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one

C18H24N6O4 — CID 155502291

IUPAC2-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine-4-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one
SMILESCOCCn1nnc(C2CN(C(=O)c3[nH]c4c(c3C)C(=O)CCC4)CCO2)n1
InChIInChI=1S/C18H24N6O4/c1-11-15-12(4-3-5-13(15)25)19-16(11)18(26)23-6-9-28-14(10-23)17-20-22-24(21-17)7-8-27-2/h14,19H,3-10H2,1-2H3
InChIKeyMYADICLEZNXMHD-UHFFFAOYSA-N
MW388.43 g/mol
LogP0.69
Rot. Bonds5

About 2-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine-4-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one

2-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine-4-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one (PubChem CID 155502291) has the molecular formula C18H24N6O4 and a molecular weight of 388.43 g/mol. Its IUPAC name is 2-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine-4-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one.

Molecular Properties

Compound Name2-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine-4-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one
PubChem CID155502291
Molecular FormulaC18H24N6O4
Molecular Weight388.43 g/mol
Exact Mass388.19
IUPAC Name2-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine-4-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one
SMILESCOCCn1nnc(C2CN(C(=O)c3[nH]c4c(c3C)C(=O)CCC4)CCO2)n1
InChIInChI=1S/C18H24N6O4/c1-11-15-12(4-3-5-13(15)25)19-16(11)18(26)23-6-9-28-14(10-23)17-20-22-24(21-17)7-8-27-2/h14,19H,3-10H2,1-2H3
InChIKeyMYADICLEZNXMHD-UHFFFAOYSA-N
XLogP0.69
TPSA115.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine-4-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one with MolForge

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Related Compounds

(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]methanone
CID 155497460
[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone
CID 155500127
2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one
CID 35814605
1-[2-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-2-oxoethyl]-4,4-dimethylpyrrolidin-2-one
CID 72937889
1-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 72875963
1-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-3-phenoxypropan-1-one
CID 155493815
N-(3-chloro-4-methylphenyl)-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine-4-carboxamide
CID 155496538
[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-([1,2]oxazolo[3,4-b]pyridin-3-yl)methanone
CID 155507138
(2S)-4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine
CID 97196275
3-ethoxy-1-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]propan-1-one
CID 157020129
3-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]sulfonylbenzoic acid
CID 155497759
2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-3-methyl-1,5,6,7-tetrahydroindol-4-one;hydrochloride
CID 120814437

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine-4-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one?
The IUPAC name of 2-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine-4-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one (CID 155502291) is 2-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine-4-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one.
What is the SMILES notation for 2-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine-4-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one?
The canonical SMILES for 2-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine-4-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one is COCCn1nnc(C2CN(C(=O)c3[nH]c4c(c3C)C(=O)CCC4)CCO2)n1.
What is the InChIKey of 2-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine-4-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one?
The InChIKey is MYADICLEZNXMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O4/c1-11-15-12(4-3-5-13(15)25)19-16(11)18(26)23-6-9-28-14(10-23)17-20-22-24(21-17)7-8-27-2/h14,19H,3-10H2,1-2H3.
What are the key properties of 2-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine-4-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one?
2-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine-4-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one has a molecular weight of 388.43 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine-4-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one is sourced from PubChem (CID 155502291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).