1-(5,6-dimethoxy-2,3-dihydroindol-1-yl)-2-(1,4-oxazepan-6-yl)ethanone

C17H24N2O4 — CID 166319109

IUPAC1-(5,6-dimethoxy-2,3-dihydroindol-1-yl)-2-(1,4-oxazepan-6-yl)ethanone
SMILESCOc1cc2c(cc1OC)N(C(=O)CC1CNCCOC1)CC2
InChIInChI=1S/C17H24N2O4/c1-21-15-8-13-3-5-19(14(13)9-16(15)22-2)17(20)7-12-10-18-4-6-23-11-12/h8-9,12,18H,3-7,10-11H2,1-2H3
InChIKeySAYAYTJYPHGFPX-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.22
Rot. Bonds4

About 1-(5,6-dimethoxy-2,3-dihydroindol-1-yl)-2-(1,4-oxazepan-6-yl)ethanone

1-(5,6-dimethoxy-2,3-dihydroindol-1-yl)-2-(1,4-oxazepan-6-yl)ethanone (PubChem CID 166319109) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-(5,6-dimethoxy-2,3-dihydroindol-1-yl)-2-(1,4-oxazepan-6-yl)ethanone.

Molecular Properties

Compound Name1-(5,6-dimethoxy-2,3-dihydroindol-1-yl)-2-(1,4-oxazepan-6-yl)ethanone
PubChem CID166319109
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name1-(5,6-dimethoxy-2,3-dihydroindol-1-yl)-2-(1,4-oxazepan-6-yl)ethanone
SMILESCOc1cc2c(cc1OC)N(C(=O)CC1CNCCOC1)CC2
InChIInChI=1S/C17H24N2O4/c1-21-15-8-13-3-5-19(14(13)9-16(15)22-2)17(20)7-12-10-18-4-6-23-11-12/h8-9,12,18H,3-7,10-11H2,1-2H3
InChIKeySAYAYTJYPHGFPX-UHFFFAOYSA-N
XLogP1.22
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-piperidin-4-ylethanone;hydrochloride
CID 119679792
1-[(1R)-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-[(6S)-1,4-oxazepan-6-yl]ethanone
CID 167581445
1-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)-2-[ethyl(methyl)amino]ethanone
CID 59442016
8-methoxy-1'-(1,4-oxazepan-6-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]
CID 163319343
2-(3,4-dimethoxyphenyl)-1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone
CID 110316227
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-piperidin-3-ylpropan-1-one
CID 57445005
N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]morpholine-2-carboxamide
CID 119779928
1-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2-yl)propan-1-one
CID 14845147
1-(5-methoxy-2,3-dihydroindol-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119760453
1-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-2-cyclohexylethanone
CID 83212360
1-(3,4-dihydro-2H-quinolin-1-yl)-2-piperidin-3-ylethanone
CID 62690706
1-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(oxolan-3-yl)ethanone
CID 119073542

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethoxy-2,3-dihydroindol-1-yl)-2-(1,4-oxazepan-6-yl)ethanone?
The IUPAC name of 1-(5,6-dimethoxy-2,3-dihydroindol-1-yl)-2-(1,4-oxazepan-6-yl)ethanone (CID 166319109) is 1-(5,6-dimethoxy-2,3-dihydroindol-1-yl)-2-(1,4-oxazepan-6-yl)ethanone.
What is the SMILES notation for 1-(5,6-dimethoxy-2,3-dihydroindol-1-yl)-2-(1,4-oxazepan-6-yl)ethanone?
The canonical SMILES for 1-(5,6-dimethoxy-2,3-dihydroindol-1-yl)-2-(1,4-oxazepan-6-yl)ethanone is COc1cc2c(cc1OC)N(C(=O)CC1CNCCOC1)CC2.
What is the InChIKey of 1-(5,6-dimethoxy-2,3-dihydroindol-1-yl)-2-(1,4-oxazepan-6-yl)ethanone?
The InChIKey is SAYAYTJYPHGFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-21-15-8-13-3-5-19(14(13)9-16(15)22-2)17(20)7-12-10-18-4-6-23-11-12/h8-9,12,18H,3-7,10-11H2,1-2H3.
What are the key properties of 1-(5,6-dimethoxy-2,3-dihydroindol-1-yl)-2-(1,4-oxazepan-6-yl)ethanone?
1-(5,6-dimethoxy-2,3-dihydroindol-1-yl)-2-(1,4-oxazepan-6-yl)ethanone has a molecular weight of 320.39 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethoxy-2,3-dihydroindol-1-yl)-2-(1,4-oxazepan-6-yl)ethanone is sourced from PubChem (CID 166319109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).