2,3-dihydro-1H-indol-2-yl-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride

C15H21ClN2O2 — CID 120630609

IUPAC2,3-dihydro-1H-indol-2-yl-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride
SMILESCC1CN(C(=O)C2Cc3ccccc3N2)CCCO1.Cl
InChIInChI=1S/C15H20N2O2.ClH/c1-11-10-17(7-4-8-19-11)15(18)14-9-12-5-2-3-6-13(12)16-14;/h2-3,5-6,11,14,16H,4,7-10H2,1H3;1H
InChIKeyUQWZUYHABZUEIV-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.08
Rot. Bonds1

About 2,3-dihydro-1H-indol-2-yl-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride

2,3-dihydro-1H-indol-2-yl-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride (PubChem CID 120630609) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 2,3-dihydro-1H-indol-2-yl-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name2,3-dihydro-1H-indol-2-yl-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride
PubChem CID120630609
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name2,3-dihydro-1H-indol-2-yl-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride
SMILESCC1CN(C(=O)C2Cc3ccccc3N2)CCCO1.Cl
InChIInChI=1S/C15H20N2O2.ClH/c1-11-10-17(7-4-8-19-11)15(18)14-9-12-5-2-3-6-13(12)16-14;/h2-3,5-6,11,14,16H,4,7-10H2,1H3;1H
InChIKeyUQWZUYHABZUEIV-UHFFFAOYSA-N
XLogP2.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,3-dihydro-1H-indol-2-yl-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride with MolForge

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Related Compounds

(2-methyl-1,4-oxazepan-4-yl)-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 104896483
2,3-dihydro-1H-indol-2-yl-(3-methylpyrrolidin-1-yl)methanone
CID 76895982
[(2S)-2,3-dihydro-1H-indol-2-yl]-pyrrolidin-1-ylmethanone
CID 61148628
[(2S)-2,3-dihydro-1H-indol-2-yl]-(1,4-oxazepan-4-yl)methanone
CID 55153900
[(2S)-2,3-dihydro-1H-indol-2-yl]-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81203555
2,3-dihydro-1H-indol-2-yl-(3,4-dimethylpiperazin-1-yl)methanone
CID 77002747
1-[4-(2,3-dihydro-1H-indole-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 76912181
2,3-dihydro-1H-indol-2-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
CID 120617475
2,3-dihydro-1H-indol-2-yl-(4,4-dimethylazepan-1-yl)methanone
CID 77064458
1-(2,3-dihydro-1H-indole-2-carbonyl)piperidine-3-carboxamide
CID 76892627
[(2R)-2,3-dihydro-1H-indol-2-yl]-[(3R)-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 124591703
2,3-dihydro-1H-indol-2-yl-(4-methyl-1,4-diazepan-1-yl)methanone
CID 76891866

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indol-2-yl-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride?
The IUPAC name of 2,3-dihydro-1H-indol-2-yl-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride (CID 120630609) is 2,3-dihydro-1H-indol-2-yl-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride.
What is the SMILES notation for 2,3-dihydro-1H-indol-2-yl-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride?
The canonical SMILES for 2,3-dihydro-1H-indol-2-yl-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride is CC1CN(C(=O)C2Cc3ccccc3N2)CCCO1.Cl.
What is the InChIKey of 2,3-dihydro-1H-indol-2-yl-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride?
The InChIKey is UQWZUYHABZUEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2.ClH/c1-11-10-17(7-4-8-19-11)15(18)14-9-12-5-2-3-6-13(12)16-14;/h2-3,5-6,11,14,16H,4,7-10H2,1H3;1H.
What are the key properties of 2,3-dihydro-1H-indol-2-yl-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride?
2,3-dihydro-1H-indol-2-yl-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride has a molecular weight of 296.80 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indol-2-yl-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride is sourced from PubChem (CID 120630609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).