2-[[3-(6-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]methyl]isoindole-1,3-dione

C23H16N4O3 — CID 1366454

IUPAC2-[[3-(6-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]methyl]isoindole-1,3-dione
SMILESCc1cccc(-n2c(CN3C(=O)c4ccccc4C3=O)nc3ccccc3c2=O)n1
InChIInChI=1S/C23H16N4O3/c1-14-7-6-12-19(24-14)27-20(25-18-11-5-4-10-17(18)23(27)30)13-26-21(28)15-8-2-3-9-16(15)22(26)29/h2-12H,13H2,1H3
InChIKeyQNEZEEYCXPFWCG-UHFFFAOYSA-N
MW396.41 g/mol
LogP2.89
Rot. Bonds3

About 2-[[3-(6-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]methyl]isoindole-1,3-dione

2-[[3-(6-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]methyl]isoindole-1,3-dione (PubChem CID 1366454) has the molecular formula C23H16N4O3 and a molecular weight of 396.41 g/mol. Its IUPAC name is 2-[[3-(6-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[3-(6-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]methyl]isoindole-1,3-dione
PubChem CID1366454
Molecular FormulaC23H16N4O3
Molecular Weight396.41 g/mol
Exact Mass396.12
IUPAC Name2-[[3-(6-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]methyl]isoindole-1,3-dione
SMILESCc1cccc(-n2c(CN3C(=O)c4ccccc4C3=O)nc3ccccc3c2=O)n1
InChIInChI=1S/C23H16N4O3/c1-14-7-6-12-19(24-14)27-20(25-18-11-5-4-10-17(18)23(27)30)13-26-21(28)15-8-2-3-9-16(15)22(26)29/h2-12H,13H2,1H3
InChIKeyQNEZEEYCXPFWCG-UHFFFAOYSA-N
XLogP2.89
TPSA85.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[[3-(6-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]methyl]isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(6-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[3-(6-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]methyl]isoindole-1,3-dione (CID 1366454) is 2-[[3-(6-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[3-(6-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[3-(6-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]methyl]isoindole-1,3-dione is Cc1cccc(-n2c(CN3C(=O)c4ccccc4C3=O)nc3ccccc3c2=O)n1.
What is the InChIKey of 2-[[3-(6-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]methyl]isoindole-1,3-dione?
The InChIKey is QNEZEEYCXPFWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O3/c1-14-7-6-12-19(24-14)27-20(25-18-11-5-4-10-17(18)23(27)30)13-26-21(28)15-8-2-3-9-16(15)22(26)29/h2-12H,13H2,1H3.
What are the key properties of 2-[[3-(6-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]methyl]isoindole-1,3-dione?
2-[[3-(6-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]methyl]isoindole-1,3-dione has a molecular weight of 396.41 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(6-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 1366454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).