7-methyl-5-[2-(3-methylmorpholin-4-yl)ethyl]-3,4-dihydro-2H-1,5-benzoxazepine

C17H26N2O2 — CID 136540118

IUPAC7-methyl-5-[2-(3-methylmorpholin-4-yl)ethyl]-3,4-dihydro-2H-1,5-benzoxazepine
SMILESCc1ccc2c(c1)N(CCN1CCOCC1C)CCCO2
InChIInChI=1S/C17H26N2O2/c1-14-4-5-17-16(12-14)19(6-3-10-21-17)8-7-18-9-11-20-13-15(18)2/h4-5,12,15H,3,6-11,13H2,1-2H3
InChIKeyRMHZBUQUDUJMFJ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.30
Rot. Bonds3

About 7-methyl-5-[2-(3-methylmorpholin-4-yl)ethyl]-3,4-dihydro-2H-1,5-benzoxazepine

7-methyl-5-[2-(3-methylmorpholin-4-yl)ethyl]-3,4-dihydro-2H-1,5-benzoxazepine (PubChem CID 136540118) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 7-methyl-5-[2-(3-methylmorpholin-4-yl)ethyl]-3,4-dihydro-2H-1,5-benzoxazepine.

Molecular Properties

Compound Name7-methyl-5-[2-(3-methylmorpholin-4-yl)ethyl]-3,4-dihydro-2H-1,5-benzoxazepine
PubChem CID136540118
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name7-methyl-5-[2-(3-methylmorpholin-4-yl)ethyl]-3,4-dihydro-2H-1,5-benzoxazepine
SMILESCc1ccc2c(c1)N(CCN1CCOCC1C)CCCO2
InChIInChI=1S/C17H26N2O2/c1-14-4-5-17-16(12-14)19(6-3-10-21-17)8-7-18-9-11-20-13-15(18)2/h4-5,12,15H,3,6-11,13H2,1-2H3
InChIKeyRMHZBUQUDUJMFJ-UHFFFAOYSA-N
XLogP2.30
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-[2-(3-methylmorpholin-4-yl)ethyl]-3,4-dihydro-2H-1,5-benzoxazepine?
The IUPAC name of 7-methyl-5-[2-(3-methylmorpholin-4-yl)ethyl]-3,4-dihydro-2H-1,5-benzoxazepine (CID 136540118) is 7-methyl-5-[2-(3-methylmorpholin-4-yl)ethyl]-3,4-dihydro-2H-1,5-benzoxazepine.
What is the SMILES notation for 7-methyl-5-[2-(3-methylmorpholin-4-yl)ethyl]-3,4-dihydro-2H-1,5-benzoxazepine?
The canonical SMILES for 7-methyl-5-[2-(3-methylmorpholin-4-yl)ethyl]-3,4-dihydro-2H-1,5-benzoxazepine is Cc1ccc2c(c1)N(CCN1CCOCC1C)CCCO2.
What is the InChIKey of 7-methyl-5-[2-(3-methylmorpholin-4-yl)ethyl]-3,4-dihydro-2H-1,5-benzoxazepine?
The InChIKey is RMHZBUQUDUJMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-14-4-5-17-16(12-14)19(6-3-10-21-17)8-7-18-9-11-20-13-15(18)2/h4-5,12,15H,3,6-11,13H2,1-2H3.
What are the key properties of 7-methyl-5-[2-(3-methylmorpholin-4-yl)ethyl]-3,4-dihydro-2H-1,5-benzoxazepine?
7-methyl-5-[2-(3-methylmorpholin-4-yl)ethyl]-3,4-dihydro-2H-1,5-benzoxazepine has a molecular weight of 290.41 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-[2-(3-methylmorpholin-4-yl)ethyl]-3,4-dihydro-2H-1,5-benzoxazepine is sourced from PubChem (CID 136540118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).