3-[(6,7-dimethoxyisoquinolin-4-yl)methyl]-9-ethylcarbazole

C26H24N2O2 — CID 118115726

IUPAC3-[(6,7-dimethoxyisoquinolin-4-yl)methyl]-9-ethylcarbazole
SMILESCCn1c2ccccc2c2cc(Cc3cncc4cc(OC)c(OC)cc34)ccc21
InChIInChI=1S/C26H24N2O2/c1-4-28-23-8-6-5-7-20(23)22-12-17(9-10-24(22)28)11-18-15-27-16-19-13-25(29-2)26(30-3)14-21(18)19/h5-10,12-16H,4,11H2,1-3H3
InChIKeyOZEYXJABOHBCFJ-UHFFFAOYSA-N
MW396.49 g/mol
LogP5.97
Rot. Bonds5

About 3-[(6,7-dimethoxyisoquinolin-4-yl)methyl]-9-ethylcarbazole

3-[(6,7-dimethoxyisoquinolin-4-yl)methyl]-9-ethylcarbazole (PubChem CID 118115726) has the molecular formula C26H24N2O2 and a molecular weight of 396.49 g/mol. Its IUPAC name is 3-[(6,7-dimethoxyisoquinolin-4-yl)methyl]-9-ethylcarbazole.

Molecular Properties

Compound Name3-[(6,7-dimethoxyisoquinolin-4-yl)methyl]-9-ethylcarbazole
PubChem CID118115726
Molecular FormulaC26H24N2O2
Molecular Weight396.49 g/mol
Exact Mass396.18
IUPAC Name3-[(6,7-dimethoxyisoquinolin-4-yl)methyl]-9-ethylcarbazole
SMILESCCn1c2ccccc2c2cc(Cc3cncc4cc(OC)c(OC)cc34)ccc21
InChIInChI=1S/C26H24N2O2/c1-4-28-23-8-6-5-7-20(23)22-12-17(9-10-24(22)28)11-18-15-27-16-19-13-25(29-2)26(30-3)14-21(18)19/h5-10,12-16H,4,11H2,1-3H3
InChIKeyOZEYXJABOHBCFJ-UHFFFAOYSA-N
XLogP5.97
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(6,7-dimethoxyisoquinolin-4-yl)methyl]-9-ethylcarbazole?
The IUPAC name of 3-[(6,7-dimethoxyisoquinolin-4-yl)methyl]-9-ethylcarbazole (CID 118115726) is 3-[(6,7-dimethoxyisoquinolin-4-yl)methyl]-9-ethylcarbazole.
What is the SMILES notation for 3-[(6,7-dimethoxyisoquinolin-4-yl)methyl]-9-ethylcarbazole?
The canonical SMILES for 3-[(6,7-dimethoxyisoquinolin-4-yl)methyl]-9-ethylcarbazole is CCn1c2ccccc2c2cc(Cc3cncc4cc(OC)c(OC)cc34)ccc21.
What is the InChIKey of 3-[(6,7-dimethoxyisoquinolin-4-yl)methyl]-9-ethylcarbazole?
The InChIKey is OZEYXJABOHBCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O2/c1-4-28-23-8-6-5-7-20(23)22-12-17(9-10-24(22)28)11-18-15-27-16-19-13-25(29-2)26(30-3)14-21(18)19/h5-10,12-16H,4,11H2,1-3H3.
What are the key properties of 3-[(6,7-dimethoxyisoquinolin-4-yl)methyl]-9-ethylcarbazole?
3-[(6,7-dimethoxyisoquinolin-4-yl)methyl]-9-ethylcarbazole has a molecular weight of 396.49 g/mol, XLogP of 5.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6,7-dimethoxyisoquinolin-4-yl)methyl]-9-ethylcarbazole is sourced from PubChem (CID 118115726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).