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

C22H16N2O2 — CID 3833010

IUPAC6-(2-methylphenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione
SMILESCc1ccccc1N1C(=O)c2ccccc2N2C(=O)c3ccccc3C12
InChIInChI=1S/C22H16N2O2/c1-14-8-2-6-12-18(14)23-20-15-9-3-4-10-16(15)21(25)24(20)19-13-7-5-11-17(19)22(23)26/h2-13,20H,1H3
InChIKeyDKAUTBMKQPDRNJ-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.31
Rot. Bonds1

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

6-(2-methylphenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione (PubChem CID 3833010) has the molecular formula C22H16N2O2 and a molecular weight of 340.38 g/mol. Its IUPAC name is 6-(2-methylphenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione.

Molecular Properties

Compound Name6-(2-methylphenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione
PubChem CID3833010
Molecular FormulaC22H16N2O2
Molecular Weight340.38 g/mol
Exact Mass340.12
IUPAC Name6-(2-methylphenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione
SMILESCc1ccccc1N1C(=O)c2ccccc2N2C(=O)c3ccccc3C12
InChIInChI=1S/C22H16N2O2/c1-14-8-2-6-12-18(14)23-20-15-9-3-4-10-16(15)21(25)24(20)19-13-7-5-11-17(19)22(23)26/h2-13,20H,1H3
InChIKeyDKAUTBMKQPDRNJ-UHFFFAOYSA-N
XLogP4.31
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylphenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione?
The IUPAC name of 6-(2-methylphenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione (CID 3833010) is 6-(2-methylphenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione.
What is the SMILES notation for 6-(2-methylphenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione?
The canonical SMILES for 6-(2-methylphenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione is Cc1ccccc1N1C(=O)c2ccccc2N2C(=O)c3ccccc3C12.
What is the InChIKey of 6-(2-methylphenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione?
The InChIKey is DKAUTBMKQPDRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2/c1-14-8-2-6-12-18(14)23-20-15-9-3-4-10-16(15)21(25)24(20)19-13-7-5-11-17(19)22(23)26/h2-13,20H,1H3.
What are the key properties of 6-(2-methylphenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione?
6-(2-methylphenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione has a molecular weight of 340.38 g/mol, XLogP of 4.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylphenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione is sourced from PubChem (CID 3833010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).