1-(2,3-dihydroindol-1-yl)-2-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]ethanone

C16H20N6O2 — CID 163309338

IUPAC1-(2,3-dihydroindol-1-yl)-2-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]ethanone
SMILESCn1nnc(C2CN(CC(=O)N3CCc4ccccc43)CCO2)n1
InChIInChI=1S/C16H20N6O2/c1-20-18-16(17-19-20)14-10-21(8-9-24-14)11-15(23)22-7-6-12-4-2-3-5-13(12)22/h2-5,14H,6-11H2,1H3
InChIKeyZTZXSDUNSBLTHN-UHFFFAOYSA-N
MW328.38 g/mol
LogP0.17
Rot. Bonds3

About 1-(2,3-dihydroindol-1-yl)-2-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]ethanone

1-(2,3-dihydroindol-1-yl)-2-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]ethanone (PubChem CID 163309338) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]ethanone
PubChem CID163309338
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]ethanone
SMILESCn1nnc(C2CN(CC(=O)N3CCc4ccccc43)CCO2)n1
InChIInChI=1S/C16H20N6O2/c1-20-18-16(17-19-20)14-10-21(8-9-24-14)11-15(23)22-7-6-12-4-2-3-5-13(12)22/h2-5,14H,6-11H2,1H3
InChIKeyZTZXSDUNSBLTHN-UHFFFAOYSA-N
XLogP0.17
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2,3-dihydroindol-1-yl)-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
CID 97059653
1-(2,3-dihydroindol-1-yl)-2-[(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]ethanone
CID 124754682
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(2S)-2-phenylmorpholin-4-yl]ethanone
CID 36732041
1-(2,3-dihydroindol-1-yl)-2-(3-hydroxyazetidin-1-yl)ethanone
CID 63282171
2-[2-[[2-(2-methyltetrazol-5-yl)morpholin-4-yl]methyl]phenoxy]acetic acid
CID 157017908
1-(2,3-dihydroindol-1-yl)-2-(2,6-dimethylmorpholin-4-yl)ethanone
CID 78790849
1-(2,3-dihydroindol-1-yl)-2-[(2R)-2-(pyridin-3-yloxymethyl)morpholin-4-yl]ethanone
CID 71062530
1-(2,3-dihydroindol-1-yl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 55064419
2-[(3R)-3-aminopyrrolidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119905160
2-[(3S)-3-aminopyrrolidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119933655
(2R,3S)-4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methylmorpholine-3-carboxamide
CID 128987041
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-hydroxypiperidin-1-yl)ethanone
CID 60645184

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]ethanone (CID 163309338) is 1-(2,3-dihydroindol-1-yl)-2-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]ethanone is Cn1nnc(C2CN(CC(=O)N3CCc4ccccc43)CCO2)n1.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]ethanone?
The InChIKey is ZTZXSDUNSBLTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-20-18-16(17-19-20)14-10-21(8-9-24-14)11-15(23)22-7-6-12-4-2-3-5-13(12)22/h2-5,14H,6-11H2,1H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]ethanone?
1-(2,3-dihydroindol-1-yl)-2-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]ethanone has a molecular weight of 328.38 g/mol, XLogP of 0.17, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]ethanone is sourced from PubChem (CID 163309338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).