5-chloro-2-methyl-4-propyl-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine

C16H23ClN2O — CID 58495161

IUPAC5-chloro-2-methyl-4-propyl-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine
SMILESCCCN1CC(C)Oc2cc3c(c(Cl)c21)CCNCC3
InChIInChI=1S/C16H23ClN2O/c1-3-8-19-10-11(2)20-14-9-12-4-6-18-7-5-13(12)15(17)16(14)19/h9,11,18H,3-8,10H2,1-2H3
InChIKeyMZRWMANTMMUSGK-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.03
Rot. Bonds2

About 5-chloro-2-methyl-4-propyl-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine

5-chloro-2-methyl-4-propyl-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine (PubChem CID 58495161) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 5-chloro-2-methyl-4-propyl-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine.

Molecular Properties

Compound Name5-chloro-2-methyl-4-propyl-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine
PubChem CID58495161
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name5-chloro-2-methyl-4-propyl-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine
SMILESCCCN1CC(C)Oc2cc3c(c(Cl)c21)CCNCC3
InChIInChI=1S/C16H23ClN2O/c1-3-8-19-10-11(2)20-14-9-12-4-6-18-7-5-13(12)15(17)16(14)19/h9,11,18H,3-8,10H2,1-2H3
InChIKeyMZRWMANTMMUSGK-UHFFFAOYSA-N
XLogP3.03
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-4-propyl-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine?
The IUPAC name of 5-chloro-2-methyl-4-propyl-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine (CID 58495161) is 5-chloro-2-methyl-4-propyl-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine.
What is the SMILES notation for 5-chloro-2-methyl-4-propyl-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine?
The canonical SMILES for 5-chloro-2-methyl-4-propyl-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine is CCCN1CC(C)Oc2cc3c(c(Cl)c21)CCNCC3.
What is the InChIKey of 5-chloro-2-methyl-4-propyl-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine?
The InChIKey is MZRWMANTMMUSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-3-8-19-10-11(2)20-14-9-12-4-6-18-7-5-13(12)15(17)16(14)19/h9,11,18H,3-8,10H2,1-2H3.
What are the key properties of 5-chloro-2-methyl-4-propyl-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine?
5-chloro-2-methyl-4-propyl-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine has a molecular weight of 294.83 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-4-propyl-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine is sourced from PubChem (CID 58495161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).