6-[(benzylamino)methyl]isoindolo[2,3-a]quinoline-5,11-dione

C24H18N2O2 — CID 14815107

IUPAC6-[(benzylamino)methyl]isoindolo[2,3-a]quinoline-5,11-dione
SMILESO=C1c2ccccc2-c2c(CNCc3ccccc3)c(=O)c3ccccc3n21
InChIInChI=1S/C24H18N2O2/c27-23-19-12-6-7-13-21(19)26-22(17-10-4-5-11-18(17)24(26)28)20(23)15-25-14-16-8-2-1-3-9-16/h1-13,25H,14-15H2
InChIKeyJATJPKWHEDDWOQ-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.96
Rot. Bonds4

About 6-[(benzylamino)methyl]isoindolo[2,3-a]quinoline-5,11-dione

6-[(benzylamino)methyl]isoindolo[2,3-a]quinoline-5,11-dione (PubChem CID 14815107) has the molecular formula C24H18N2O2 and a molecular weight of 366.42 g/mol. Its IUPAC name is 6-[(benzylamino)methyl]isoindolo[2,3-a]quinoline-5,11-dione.

Molecular Properties

Compound Name6-[(benzylamino)methyl]isoindolo[2,3-a]quinoline-5,11-dione
PubChem CID14815107
Molecular FormulaC24H18N2O2
Molecular Weight366.42 g/mol
Exact Mass366.14
IUPAC Name6-[(benzylamino)methyl]isoindolo[2,3-a]quinoline-5,11-dione
SMILESO=C1c2ccccc2-c2c(CNCc3ccccc3)c(=O)c3ccccc3n21
InChIInChI=1S/C24H18N2O2/c27-23-19-12-6-7-13-21(19)26-22(17-10-4-5-11-18(17)24(26)28)20(23)15-25-14-16-8-2-1-3-9-16/h1-13,25H,14-15H2
InChIKeyJATJPKWHEDDWOQ-UHFFFAOYSA-N
XLogP3.96
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(benzylamino)methyl]isoindolo[2,3-a]quinoline-5,11-dione?
The IUPAC name of 6-[(benzylamino)methyl]isoindolo[2,3-a]quinoline-5,11-dione (CID 14815107) is 6-[(benzylamino)methyl]isoindolo[2,3-a]quinoline-5,11-dione.
What is the SMILES notation for 6-[(benzylamino)methyl]isoindolo[2,3-a]quinoline-5,11-dione?
The canonical SMILES for 6-[(benzylamino)methyl]isoindolo[2,3-a]quinoline-5,11-dione is O=C1c2ccccc2-c2c(CNCc3ccccc3)c(=O)c3ccccc3n21.
What is the InChIKey of 6-[(benzylamino)methyl]isoindolo[2,3-a]quinoline-5,11-dione?
The InChIKey is JATJPKWHEDDWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O2/c27-23-19-12-6-7-13-21(19)26-22(17-10-4-5-11-18(17)24(26)28)20(23)15-25-14-16-8-2-1-3-9-16/h1-13,25H,14-15H2.
What are the key properties of 6-[(benzylamino)methyl]isoindolo[2,3-a]quinoline-5,11-dione?
6-[(benzylamino)methyl]isoindolo[2,3-a]quinoline-5,11-dione has a molecular weight of 366.42 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(benzylamino)methyl]isoindolo[2,3-a]quinoline-5,11-dione is sourced from PubChem (CID 14815107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).