7-(2,4,6-trimethylphenyl)isoquinolino[4,3-b][1,4]benzoxazine

C24H20N2O — CID 59572386

IUPAC7-(2,4,6-trimethylphenyl)isoquinolino[4,3-b][1,4]benzoxazine
SMILESCc1cc(C)c(N2c3ccccc3Oc3c2ncc2ccccc32)c(C)c1
InChIInChI=1S/C24H20N2O/c1-15-12-16(2)22(17(3)13-15)26-20-10-6-7-11-21(20)27-23-19-9-5-4-8-18(19)14-25-24(23)26/h4-14H,1-3H3
InChIKeyVDRUPQVAXVGMRR-UHFFFAOYSA-N
MW352.44 g/mol
LogP6.74
Rot. Bonds1

About 7-(2,4,6-trimethylphenyl)isoquinolino[4,3-b][1,4]benzoxazine

7-(2,4,6-trimethylphenyl)isoquinolino[4,3-b][1,4]benzoxazine (PubChem CID 59572386) has the molecular formula C24H20N2O and a molecular weight of 352.44 g/mol. Its IUPAC name is 7-(2,4,6-trimethylphenyl)isoquinolino[4,3-b][1,4]benzoxazine.

Molecular Properties

Compound Name7-(2,4,6-trimethylphenyl)isoquinolino[4,3-b][1,4]benzoxazine
PubChem CID59572386
Molecular FormulaC24H20N2O
Molecular Weight352.44 g/mol
Exact Mass352.16
IUPAC Name7-(2,4,6-trimethylphenyl)isoquinolino[4,3-b][1,4]benzoxazine
SMILESCc1cc(C)c(N2c3ccccc3Oc3c2ncc2ccccc32)c(C)c1
InChIInChI=1S/C24H20N2O/c1-15-12-16(2)22(17(3)13-15)26-20-10-6-7-11-21(20)27-23-19-9-5-4-8-18(19)14-25-24(23)26/h4-14H,1-3H3
InChIKeyVDRUPQVAXVGMRR-UHFFFAOYSA-N
XLogP6.74
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.44
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(2,4,6-trimethylphenyl)isoquinolino[4,3-b][1,4]benzoxazine?
The IUPAC name of 7-(2,4,6-trimethylphenyl)isoquinolino[4,3-b][1,4]benzoxazine (CID 59572386) is 7-(2,4,6-trimethylphenyl)isoquinolino[4,3-b][1,4]benzoxazine.
What is the SMILES notation for 7-(2,4,6-trimethylphenyl)isoquinolino[4,3-b][1,4]benzoxazine?
The canonical SMILES for 7-(2,4,6-trimethylphenyl)isoquinolino[4,3-b][1,4]benzoxazine is Cc1cc(C)c(N2c3ccccc3Oc3c2ncc2ccccc32)c(C)c1.
What is the InChIKey of 7-(2,4,6-trimethylphenyl)isoquinolino[4,3-b][1,4]benzoxazine?
The InChIKey is VDRUPQVAXVGMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O/c1-15-12-16(2)22(17(3)13-15)26-20-10-6-7-11-21(20)27-23-19-9-5-4-8-18(19)14-25-24(23)26/h4-14H,1-3H3.
What are the key properties of 7-(2,4,6-trimethylphenyl)isoquinolino[4,3-b][1,4]benzoxazine?
7-(2,4,6-trimethylphenyl)isoquinolino[4,3-b][1,4]benzoxazine has a molecular weight of 352.44 g/mol, XLogP of 6.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4,6-trimethylphenyl)isoquinolino[4,3-b][1,4]benzoxazine is sourced from PubChem (CID 59572386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).