4-[(2S)-2-quinoxalin-2-yloxyhex-5-enyl]-1,4-oxazepane

C19H25N3O2 — CID 95862468

IUPAC4-[(2S)-2-quinoxalin-2-yloxyhex-5-enyl]-1,4-oxazepane
SMILESC=CCC[C@@H](CN1CCCOCC1)Oc1cnc2ccccc2n1
InChIInChI=1S/C19H25N3O2/c1-2-3-7-16(15-22-10-6-12-23-13-11-22)24-19-14-20-17-8-4-5-9-18(17)21-19/h2,4-5,8-9,14,16H,1,3,6-7,10-13,15H2/t16-/m0/s1
InChIKeyZYELLUGZOUBPPX-INIZCTEOSA-N
MW327.43 g/mol
LogP3.07
Rot. Bonds7

About 4-[(2S)-2-quinoxalin-2-yloxyhex-5-enyl]-1,4-oxazepane

4-[(2S)-2-quinoxalin-2-yloxyhex-5-enyl]-1,4-oxazepane (PubChem CID 95862468) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-[(2S)-2-quinoxalin-2-yloxyhex-5-enyl]-1,4-oxazepane.

Molecular Properties

Compound Name4-[(2S)-2-quinoxalin-2-yloxyhex-5-enyl]-1,4-oxazepane
PubChem CID95862468
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name4-[(2S)-2-quinoxalin-2-yloxyhex-5-enyl]-1,4-oxazepane
SMILESC=CCC[C@@H](CN1CCCOCC1)Oc1cnc2ccccc2n1
InChIInChI=1S/C19H25N3O2/c1-2-3-7-16(15-22-10-6-12-23-13-11-22)24-19-14-20-17-8-4-5-9-18(17)21-19/h2,4-5,8-9,14,16H,1,3,6-7,10-13,15H2/t16-/m0/s1
InChIKeyZYELLUGZOUBPPX-INIZCTEOSA-N
XLogP3.07
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[2-[[5-(imidazol-1-ylmethyl)-2-pyridinyl]oxy]hex-5-enyl]-1,4-oxazepane
CID 56883696
4-[(2S)-2-(6-methyl-2-phenylpyrimidin-4-yl)oxyhex-5-enyl]morpholine
CID 95889226
4-[(2R)-2-(2-methyl-6-propylpyrimidin-4-yl)oxyhex-5-enyl]-1,4-oxazepane
CID 95894754
4-[(2R)-2-(8-methoxyquinolin-2-yl)oxyhex-5-enyl]morpholine
CID 95882418
4-[(2S)-2-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]oxy]hex-5-enyl]morpholine
CID 95867445
1-[6-[(2S)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxypyridazin-3-yl]azepane
CID 95199739
1-methyl-4-[[6-(1-pyrrolidin-1-ylhex-5-en-2-yloxy)-3-pyridinyl]methyl]piperazine
CID 56889455
morpholin-4-yl-[5-[(2S)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxyfuran-2-yl]methanone
CID 95877300
6-[(2R)-1-(4-acetylpiperazin-1-yl)hex-5-en-2-yl]oxypyridine-2-carbonitrile
CID 95895324
4-[(2S)-2-pyrazin-2-yloxyhex-5-enyl]thiomorpholine
CID 95870073
4-quinoxalin-2-yl-1,4-oxazepane
CID 134160732
5-[(2R)-1-(4-methyl-1,4-diazepan-1-yl)hex-5-en-2-yl]oxypyridine-2-carbonitrile
CID 95870616

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-quinoxalin-2-yloxyhex-5-enyl]-1,4-oxazepane?
The IUPAC name of 4-[(2S)-2-quinoxalin-2-yloxyhex-5-enyl]-1,4-oxazepane (CID 95862468) is 4-[(2S)-2-quinoxalin-2-yloxyhex-5-enyl]-1,4-oxazepane.
What is the SMILES notation for 4-[(2S)-2-quinoxalin-2-yloxyhex-5-enyl]-1,4-oxazepane?
The canonical SMILES for 4-[(2S)-2-quinoxalin-2-yloxyhex-5-enyl]-1,4-oxazepane is C=CCC[C@@H](CN1CCCOCC1)Oc1cnc2ccccc2n1.
What is the InChIKey of 4-[(2S)-2-quinoxalin-2-yloxyhex-5-enyl]-1,4-oxazepane?
The InChIKey is ZYELLUGZOUBPPX-INIZCTEOSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-2-3-7-16(15-22-10-6-12-23-13-11-22)24-19-14-20-17-8-4-5-9-18(17)21-19/h2,4-5,8-9,14,16H,1,3,6-7,10-13,15H2/t16-/m0/s1.
What are the key properties of 4-[(2S)-2-quinoxalin-2-yloxyhex-5-enyl]-1,4-oxazepane?
4-[(2S)-2-quinoxalin-2-yloxyhex-5-enyl]-1,4-oxazepane has a molecular weight of 327.43 g/mol, XLogP of 3.07, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-quinoxalin-2-yloxyhex-5-enyl]-1,4-oxazepane is sourced from PubChem (CID 95862468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).