6-benzyl-6aH-isoindolo[2,3-a]quinazoline-5,11-dione

C22H16N2O2 — CID 3514191

IUPAC6-benzyl-6aH-isoindolo[2,3-a]quinazoline-5,11-dione
SMILESO=C1c2ccccc2N2C(=O)c3ccccc3C2N1Cc1ccccc1
InChIInChI=1S/C22H16N2O2/c25-21-18-12-6-7-13-19(18)24-20(16-10-4-5-11-17(16)22(24)26)23(21)14-15-8-2-1-3-9-15/h1-13,20H,14H2
InChIKeyBLMZEXAIXSZDJW-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.00
Rot. Bonds2

About 6-benzyl-6aH-isoindolo[2,3-a]quinazoline-5,11-dione

6-benzyl-6aH-isoindolo[2,3-a]quinazoline-5,11-dione (PubChem CID 3514191) has the molecular formula C22H16N2O2 and a molecular weight of 340.38 g/mol. Its IUPAC name is 6-benzyl-6aH-isoindolo[2,3-a]quinazoline-5,11-dione.

Molecular Properties

Compound Name6-benzyl-6aH-isoindolo[2,3-a]quinazoline-5,11-dione
PubChem CID3514191
Molecular FormulaC22H16N2O2
Molecular Weight340.38 g/mol
Exact Mass340.12
IUPAC Name6-benzyl-6aH-isoindolo[2,3-a]quinazoline-5,11-dione
SMILESO=C1c2ccccc2N2C(=O)c3ccccc3C2N1Cc1ccccc1
InChIInChI=1S/C22H16N2O2/c25-21-18-12-6-7-13-19(18)24-20(16-10-4-5-11-17(16)22(24)26)23(21)14-15-8-2-1-3-9-15/h1-13,20H,14H2
InChIKeyBLMZEXAIXSZDJW-UHFFFAOYSA-N
XLogP4.00
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-benzyl-6aH-isoindolo[2,3-a]quinazoline-5,11-dione with MolForge

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Related Compounds

5-Fluoro-1-[4-(4-phenyl-3,6-dihydropyridin-1(2H)-YL)butyl]quinazoline-2,4(1H,3H)-dione
CID 448890
1-Piperidin-1-ylmethyl-1H-indole-2,3-dione
CID 262695
trans-N-Benzyl-4-((1-((2-cyanophenyl)methyl)-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)cyclohexanecarboxamide
CID 15993586
2-(4-Phenylphenyl)-1,2,3,4-tetrahydroquinazolin-4-one
CID 4793207
U-29409
CID 286701
3-[4-(7-amino-1-oxo-2,3-dihydro-1H-isoindol-4-yl)phenyl]-1-(3-methylphenyl)urea
CID 5329909
N-[7-(4-{[(3-methylphenyl)carbamoyl]amino}phenyl)-3-oxo-2,3-dihydro-1H-isoindol-4-yl]acetamide
CID 5329910
N-[7-(4-{[(3-methylphenyl)carbamoyl]amino}phenyl)-3-oxo-2,3-dihydro-1H-isoindol-4-yl]benzamide
CID 5329911
3-(4-Methylphenyl)-2-(1-phenylethyl)-1,2-dihydroquinazolin-4-one
CID 4052597
N-[4-(1-benzoylpiperidin-4-yl)phenyl]-1,3-dihydro-2H-isoindole-2-carboxamide
CID 57510023
3-benzyl-2-(4-fluorophenyl)-2,3-dihydroquinazolin-4(1H)-one
CID 3817031
6-Hydroxy-6,6a-dihydroisoindolo[2,1-a]quinazoline-5,11-dione
CID 3238645

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-6aH-isoindolo[2,3-a]quinazoline-5,11-dione?
The IUPAC name of 6-benzyl-6aH-isoindolo[2,3-a]quinazoline-5,11-dione (CID 3514191) is 6-benzyl-6aH-isoindolo[2,3-a]quinazoline-5,11-dione.
What is the SMILES notation for 6-benzyl-6aH-isoindolo[2,3-a]quinazoline-5,11-dione?
The canonical SMILES for 6-benzyl-6aH-isoindolo[2,3-a]quinazoline-5,11-dione is O=C1c2ccccc2N2C(=O)c3ccccc3C2N1Cc1ccccc1.
What is the InChIKey of 6-benzyl-6aH-isoindolo[2,3-a]quinazoline-5,11-dione?
The InChIKey is BLMZEXAIXSZDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2/c25-21-18-12-6-7-13-19(18)24-20(16-10-4-5-11-17(16)22(24)26)23(21)14-15-8-2-1-3-9-15/h1-13,20H,14H2.
What are the key properties of 6-benzyl-6aH-isoindolo[2,3-a]quinazoline-5,11-dione?
6-benzyl-6aH-isoindolo[2,3-a]quinazoline-5,11-dione has a molecular weight of 340.38 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-6aH-isoindolo[2,3-a]quinazoline-5,11-dione is sourced from PubChem (CID 3514191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).