3-[2-(2,4-dihydro-1,3-benzoxazin-3-yl)ethyl]-2,4-dihydro-1,3-benzoxazine

C18H20N2O2 — CID 10063162

IUPAC3-[2-(2,4-dihydro-1,3-benzoxazin-3-yl)ethyl]-2,4-dihydro-1,3-benzoxazine
SMILESc1ccc2c(c1)CN(CCN1COc3ccccc3C1)CO2
InChIInChI=1S/C18H20N2O2/c1-3-7-17-15(5-1)11-19(13-21-17)9-10-20-12-16-6-2-4-8-18(16)22-14-20/h1-8H,9-14H2
InChIKeyXDCBQTOCSRTEDY-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.69
Rot. Bonds3

About 3-[2-(2,4-dihydro-1,3-benzoxazin-3-yl)ethyl]-2,4-dihydro-1,3-benzoxazine

3-[2-(2,4-dihydro-1,3-benzoxazin-3-yl)ethyl]-2,4-dihydro-1,3-benzoxazine (PubChem CID 10063162) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-[2-(2,4-dihydro-1,3-benzoxazin-3-yl)ethyl]-2,4-dihydro-1,3-benzoxazine.

Molecular Properties

Compound Name3-[2-(2,4-dihydro-1,3-benzoxazin-3-yl)ethyl]-2,4-dihydro-1,3-benzoxazine
PubChem CID10063162
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name3-[2-(2,4-dihydro-1,3-benzoxazin-3-yl)ethyl]-2,4-dihydro-1,3-benzoxazine
SMILESc1ccc2c(c1)CN(CCN1COc3ccccc3C1)CO2
InChIInChI=1S/C18H20N2O2/c1-3-7-17-15(5-1)11-19(13-21-17)9-10-20-12-16-6-2-4-8-18(16)22-14-20/h1-8H,9-14H2
InChIKeyXDCBQTOCSRTEDY-UHFFFAOYSA-N
XLogP2.69
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[2-(2,4-dihydro-1,3-benzoxazin-3-yl)ethyl]-2,4-dihydro-1,3-benzoxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-dihydro-1,3-benzoxazin-3-yl)ethyl]-2,4-dihydro-1,3-benzoxazine?
The IUPAC name of 3-[2-(2,4-dihydro-1,3-benzoxazin-3-yl)ethyl]-2,4-dihydro-1,3-benzoxazine (CID 10063162) is 3-[2-(2,4-dihydro-1,3-benzoxazin-3-yl)ethyl]-2,4-dihydro-1,3-benzoxazine.
What is the SMILES notation for 3-[2-(2,4-dihydro-1,3-benzoxazin-3-yl)ethyl]-2,4-dihydro-1,3-benzoxazine?
The canonical SMILES for 3-[2-(2,4-dihydro-1,3-benzoxazin-3-yl)ethyl]-2,4-dihydro-1,3-benzoxazine is c1ccc2c(c1)CN(CCN1COc3ccccc3C1)CO2.
What is the InChIKey of 3-[2-(2,4-dihydro-1,3-benzoxazin-3-yl)ethyl]-2,4-dihydro-1,3-benzoxazine?
The InChIKey is XDCBQTOCSRTEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-3-7-17-15(5-1)11-19(13-21-17)9-10-20-12-16-6-2-4-8-18(16)22-14-20/h1-8H,9-14H2.
What are the key properties of 3-[2-(2,4-dihydro-1,3-benzoxazin-3-yl)ethyl]-2,4-dihydro-1,3-benzoxazine?
3-[2-(2,4-dihydro-1,3-benzoxazin-3-yl)ethyl]-2,4-dihydro-1,3-benzoxazine has a molecular weight of 296.37 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-dihydro-1,3-benzoxazin-3-yl)ethyl]-2,4-dihydro-1,3-benzoxazine is sourced from PubChem (CID 10063162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).