5-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine

C24H28N2O3 — CID 53379932

IUPAC5-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine
SMILESc1cc2c(cc1CN1CCOc3cc4c(c(C5CC5)c31)CCNCC4)OCCO2
InChIInChI=1S/C24H28N2O3/c1-4-20-21(29-12-11-28-20)13-16(1)15-26-9-10-27-22-14-18-5-7-25-8-6-19(18)23(24(22)26)17-2-3-17/h1,4,13-14,17,25H,2-3,5-12,15H2
InChIKeyGIASSDDPADQVHI-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.42
Rot. Bonds3

About 5-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine

5-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine (PubChem CID 53379932) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 5-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine.

Molecular Properties

Compound Name5-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine
PubChem CID53379932
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name5-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine
SMILESc1cc2c(cc1CN1CCOc3cc4c(c(C5CC5)c31)CCNCC4)OCCO2
InChIInChI=1S/C24H28N2O3/c1-4-20-21(29-12-11-28-20)13-16(1)15-26-9-10-27-22-14-18-5-7-25-8-6-19(18)23(24(22)26)17-2-3-17/h1,4,13-14,17,25H,2-3,5-12,15H2
InChIKeyGIASSDDPADQVHI-UHFFFAOYSA-N
XLogP3.42
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine with MolForge

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Related Compounds

(E)-but-2-enedioic acid;4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methyl-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine
CID 162315615
5-cyclopropyl-4-[(2S)-2-fluorobutyl]-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine
CID 58495334
5-cyclopropyl-4-[(2R)-2-methoxypropyl]-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine
CID 53379751
4-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-5-methyl-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine
CID 58495079
4-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-5-methyl-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine
CID 58495003
(3S)-5-cyclopropyl-4-(3-fluoropropyl)-3-methyl-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine
CID 58495292
4-(2,2-dimethylbutyl)-5-methyl-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine;methane
CID 158399783
5-bromo-4-(2-methoxyethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine
CID 53379749
(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine-2-carbaldehyde
CID 170281892
4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-5-methyl-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine
CID 58494682
4-(2-ethoxyethyl)-5-ethyl-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine
CID 58495277
4-[(1-ethylcyclopropyl)methyl]-5-methyl-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine
CID 71202950

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine?
The IUPAC name of 5-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine (CID 53379932) is 5-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine.
What is the SMILES notation for 5-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine?
The canonical SMILES for 5-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine is c1cc2c(cc1CN1CCOc3cc4c(c(C5CC5)c31)CCNCC4)OCCO2.
What is the InChIKey of 5-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine?
The InChIKey is GIASSDDPADQVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-4-20-21(29-12-11-28-20)13-16(1)15-26-9-10-27-22-14-18-5-7-25-8-6-19(18)23(24(22)26)17-2-3-17/h1,4,13-14,17,25H,2-3,5-12,15H2.
What are the key properties of 5-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine?
5-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine has a molecular weight of 392.50 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine is sourced from PubChem (CID 53379932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).