(6aS)-6-(dimethylamino)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione

C17H15N3O2 — CID 7353211

IUPAC(6aS)-6-(dimethylamino)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione
SMILESCN(C)N1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21
InChIInChI=1S/C17H15N3O2/c1-18(2)20-15-11-7-3-4-8-12(11)16(21)19(15)14-10-6-5-9-13(14)17(20)22/h3-10,15H,1-2H3/t15-/m0/s1
InChIKeyJMRJKGZCHGCOST-HNNXBMFYSA-N
MW293.33 g/mol
LogP2.28
Rot. Bonds1

About (6aS)-6-(dimethylamino)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione

(6aS)-6-(dimethylamino)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione (PubChem CID 7353211) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is (6aS)-6-(dimethylamino)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione.

Molecular Properties

Compound Name(6aS)-6-(dimethylamino)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione
PubChem CID7353211
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name(6aS)-6-(dimethylamino)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione
SMILESCN(C)N1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21
InChIInChI=1S/C17H15N3O2/c1-18(2)20-15-11-7-3-4-8-12(11)16(21)19(15)14-10-6-5-9-13(14)17(20)22/h3-10,15H,1-2H3/t15-/m0/s1
InChIKeyJMRJKGZCHGCOST-HNNXBMFYSA-N
XLogP2.28
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6aS)-6-(dimethylamino)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione?
The IUPAC name of (6aS)-6-(dimethylamino)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione (CID 7353211) is (6aS)-6-(dimethylamino)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione.
What is the SMILES notation for (6aS)-6-(dimethylamino)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione?
The canonical SMILES for (6aS)-6-(dimethylamino)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione is CN(C)N1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21.
What is the InChIKey of (6aS)-6-(dimethylamino)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione?
The InChIKey is JMRJKGZCHGCOST-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-18(2)20-15-11-7-3-4-8-12(11)16(21)19(15)14-10-6-5-9-13(14)17(20)22/h3-10,15H,1-2H3/t15-/m0/s1.
What are the key properties of (6aS)-6-(dimethylamino)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione?
(6aS)-6-(dimethylamino)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione has a molecular weight of 293.33 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6aS)-6-(dimethylamino)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione is sourced from PubChem (CID 7353211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).