5-methyl-4-(2-pyrazin-2-yloxyethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine

C19H24N4O2 — CID 58494929

IUPAC5-methyl-4-(2-pyrazin-2-yloxyethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine
SMILESCc1c2c(cc3c1N(CCOc1cnccn1)CCO3)CCNCC2
InChIInChI=1S/C19H24N4O2/c1-14-16-3-5-20-4-2-15(16)12-17-19(14)23(8-10-24-17)9-11-25-18-13-21-6-7-22-18/h6-7,12-13,20H,2-5,8-11H2,1H3
InChIKeyRZAZSXUXMPVAEZ-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.75
Rot. Bonds4

About 5-methyl-4-(2-pyrazin-2-yloxyethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine

5-methyl-4-(2-pyrazin-2-yloxyethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine (PubChem CID 58494929) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 5-methyl-4-(2-pyrazin-2-yloxyethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine.

Molecular Properties

Compound Name5-methyl-4-(2-pyrazin-2-yloxyethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine
PubChem CID58494929
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name5-methyl-4-(2-pyrazin-2-yloxyethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine
SMILESCc1c2c(cc3c1N(CCOc1cnccn1)CCO3)CCNCC2
InChIInChI=1S/C19H24N4O2/c1-14-16-3-5-20-4-2-15(16)12-17-19(14)23(8-10-24-17)9-11-25-18-13-21-6-7-22-18/h6-7,12-13,20H,2-5,8-11H2,1H3
InChIKeyRZAZSXUXMPVAEZ-UHFFFAOYSA-N
XLogP1.75
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-methyl-4-(2-pyrazin-2-yloxyethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine with MolForge

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Related Compounds

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CID 162670445
CID 162670445
CID 164668083
CID 164668083
CID 149760329
CID 149760329
CID 49763432
CID 49763432
CID 58494795
CID 58494795
CID 58495045
CID 58495045
CID 58495316
CID 58495316
CID 59572689
CID 59572689
CID 59573518
CID 59573518
CID 59573559
CID 59573559

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(2-pyrazin-2-yloxyethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine?
The IUPAC name of 5-methyl-4-(2-pyrazin-2-yloxyethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine (CID 58494929) is 5-methyl-4-(2-pyrazin-2-yloxyethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine.
What is the SMILES notation for 5-methyl-4-(2-pyrazin-2-yloxyethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine?
The canonical SMILES for 5-methyl-4-(2-pyrazin-2-yloxyethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine is Cc1c2c(cc3c1N(CCOc1cnccn1)CCO3)CCNCC2.
What is the InChIKey of 5-methyl-4-(2-pyrazin-2-yloxyethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine?
The InChIKey is RZAZSXUXMPVAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14-16-3-5-20-4-2-15(16)12-17-19(14)23(8-10-24-17)9-11-25-18-13-21-6-7-22-18/h6-7,12-13,20H,2-5,8-11H2,1H3.
What are the key properties of 5-methyl-4-(2-pyrazin-2-yloxyethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine?
5-methyl-4-(2-pyrazin-2-yloxyethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine has a molecular weight of 340.43 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(2-pyrazin-2-yloxyethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine is sourced from PubChem (CID 58494929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).