3-ethyl-2-methyl-5-(morpholin-4-ylmethyl)-1,5,6,7-tetrahydroindol-4-one

C16H24N2O2 — CID 23897

💊View drug profile → molindone
IUPAC3-ethyl-2-methyl-5-(morpholin-4-ylmethyl)-1,5,6,7-tetrahydroindol-4-one
SMILESCCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2
InChIInChI=1S/C16H24N2O2/c1-3-13-11(2)17-14-5-4-12(16(19)15(13)14)10-18-6-8-20-9-7-18/h12,17H,3-10H2,1-2H3
InChIKeyKLPWJLBORRMFGK-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.96
Rot. Bonds3

About 3-ethyl-2-methyl-5-(morpholin-4-ylmethyl)-1,5,6,7-tetrahydroindol-4-one

3-ethyl-2-methyl-5-(morpholin-4-ylmethyl)-1,5,6,7-tetrahydroindol-4-one (PubChem CID 23897) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-ethyl-2-methyl-5-(morpholin-4-ylmethyl)-1,5,6,7-tetrahydroindol-4-one.

Molecular Properties

Compound Name3-ethyl-2-methyl-5-(morpholin-4-ylmethyl)-1,5,6,7-tetrahydroindol-4-one
PubChem CID23897
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-ethyl-2-methyl-5-(morpholin-4-ylmethyl)-1,5,6,7-tetrahydroindol-4-one
SMILESCCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2
InChIInChI=1S/C16H24N2O2/c1-3-13-11(2)17-14-5-4-12(16(19)15(13)14)10-18-6-8-20-9-7-18/h12,17H,3-10H2,1-2H3
InChIKeyKLPWJLBORRMFGK-UHFFFAOYSA-N
XLogP1.96
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Molindone Hydrochloride
CID 9883259
2-(2,6-dimethylmorpholin-4-yl)-1-(2-methyl-1H-indol-3-yl)ethanone
CID 3791119
3-Ethyl-2-methyl-5-(2-morpholin-4-ylethyl)-1,5,6,7-tetrahydroindol-4-one
CID 10085633
(4aS,8aS)-3-ethyl-2,6-dimethyl-4a,5,7,8,8a,9-hexahydro-1H-pyrrolo[2,3-g]isoquinolin-4-one;hydrochloride
CID 15572931
Piquindone
CID 121903
Molindone, (S)-
CID 6604347
3-Ethyl-2-methyl-4,5,6,7-tetrahydroindol-4-one
CID 80204
Indol-4(5H)-one, 6,7-dihydro-2,3-dimethyl-
CID 22495
AL 1612
CID 32888
4(1H)-Carbazolone, 2,3-dihydro-3-morpholinomethyl-
CID 37180
Cyanidin 3-(diferuloylsophoroside) 5-glucoside
CID 31509
Piquindone Hydrochloride
CID 11954264

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-5-(morpholin-4-ylmethyl)-1,5,6,7-tetrahydroindol-4-one?
The IUPAC name of 3-ethyl-2-methyl-5-(morpholin-4-ylmethyl)-1,5,6,7-tetrahydroindol-4-one (CID 23897) is 3-ethyl-2-methyl-5-(morpholin-4-ylmethyl)-1,5,6,7-tetrahydroindol-4-one.
What is the SMILES notation for 3-ethyl-2-methyl-5-(morpholin-4-ylmethyl)-1,5,6,7-tetrahydroindol-4-one?
The canonical SMILES for 3-ethyl-2-methyl-5-(morpholin-4-ylmethyl)-1,5,6,7-tetrahydroindol-4-one is CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2.
What is the InChIKey of 3-ethyl-2-methyl-5-(morpholin-4-ylmethyl)-1,5,6,7-tetrahydroindol-4-one?
The InChIKey is KLPWJLBORRMFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-13-11(2)17-14-5-4-12(16(19)15(13)14)10-18-6-8-20-9-7-18/h12,17H,3-10H2,1-2H3.
What are the key properties of 3-ethyl-2-methyl-5-(morpholin-4-ylmethyl)-1,5,6,7-tetrahydroindol-4-one?
3-ethyl-2-methyl-5-(morpholin-4-ylmethyl)-1,5,6,7-tetrahydroindol-4-one has a molecular weight of 276.38 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-5-(morpholin-4-ylmethyl)-1,5,6,7-tetrahydroindol-4-one is sourced from PubChem (CID 23897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).