2-[(E)-(1-benzyl-5-methyl-2-oxoindol-3-ylidene)methyl]-3H-quinazolin-4-one

C25H19N3O2 — CID 135549507

IUPAC2-[(E)-(1-benzyl-5-methyl-2-oxoindol-3-ylidene)methyl]-3H-quinazolin-4-one
SMILESCc1ccc2c(c1)/C(=C\c1nc3ccccc3c(=O)[nH]1)C(=O)N2Cc1ccccc1
InChIInChI=1S/C25H19N3O2/c1-16-11-12-22-19(13-16)20(25(30)28(22)15-17-7-3-2-4-8-17)14-23-26-21-10-6-5-9-18(21)24(29)27-23/h2-14H,15H2,1H3,(H,26,27,29)/b20-14+
InChIKeyIMGCXKZWULPMAQ-XSFVSMFZSA-N
MW393.45 g/mol
LogP4.32
Rot. Bonds3

About 2-[(E)-(1-benzyl-5-methyl-2-oxoindol-3-ylidene)methyl]-3H-quinazolin-4-one

2-[(E)-(1-benzyl-5-methyl-2-oxoindol-3-ylidene)methyl]-3H-quinazolin-4-one (PubChem CID 135549507) has the molecular formula C25H19N3O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 2-[(E)-(1-benzyl-5-methyl-2-oxoindol-3-ylidene)methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(E)-(1-benzyl-5-methyl-2-oxoindol-3-ylidene)methyl]-3H-quinazolin-4-one
PubChem CID135549507
Molecular FormulaC25H19N3O2
Molecular Weight393.45 g/mol
Exact Mass393.15
IUPAC Name2-[(E)-(1-benzyl-5-methyl-2-oxoindol-3-ylidene)methyl]-3H-quinazolin-4-one
SMILESCc1ccc2c(c1)/C(=C\c1nc3ccccc3c(=O)[nH]1)C(=O)N2Cc1ccccc1
InChIInChI=1S/C25H19N3O2/c1-16-11-12-22-19(13-16)20(25(30)28(22)15-17-7-3-2-4-8-17)14-23-26-21-10-6-5-9-18(21)24(29)27-23/h2-14H,15H2,1H3,(H,26,27,29)/b20-14+
InChIKeyIMGCXKZWULPMAQ-XSFVSMFZSA-N
XLogP4.32
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[(E)-(1-benzyl-5-methyl-2-oxoindol-3-ylidene)methyl]-3H-quinazolin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

2-[(E)-(1-ethyl-2-oxoindol-3-ylidene)methyl]-3H-quinazolin-4-one
CID 135489955
2-[(1-benzyl-2-oxoindol-3-ylidene)methyl]-3-methylquinazolin-4-one
CID 5143715
2-[(1-benzyl-2-oxoindol-3-ylidene)methyl]-3-ethylquinazolin-4-one
CID 2870093
2-[(Z)-(1,5-dimethyl-2-oxoindol-3-ylidene)methyl]-3-(2-phenylethyl)quinazolin-4-one
CID 6223414
2-[(Z)-(1,5-dimethyl-2-oxoindol-3-ylidene)methyl]-3-methylquinazolin-4-one
CID 5291469
2-[(Z)-2-(2,5-dimethylphenyl)ethenyl]-3H-quinazolin-4-one
CID 136861073
2-[(5-bromo-2-oxo-1-propylindol-3-ylidene)methyl]-3-(4-methylphenyl)quinazolin-4-one
CID 3125319
2-[(5-bromo-2-oxo-1-propylindol-3-ylidene)methyl]-3-methylquinazolin-4-one
CID 2880226
2-[(E)-(1-ethyl-2-oxoindol-3-ylidene)methyl]-3-(3-methylphenyl)quinazolin-4-one
CID 5342228
(5Z)-5-(acridin-9-ylmethylidene)-3-benzyl-1,3-thiazolidine-2,4-dione
CID 87709377
2-[2-(4-ethylphenyl)ethenyl]-3H-quinazolin-4-one
CID 135517947
2-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]-3H-quinazolin-4-one
CID 135895971

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(1-benzyl-5-methyl-2-oxoindol-3-ylidene)methyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[(E)-(1-benzyl-5-methyl-2-oxoindol-3-ylidene)methyl]-3H-quinazolin-4-one (CID 135549507) is 2-[(E)-(1-benzyl-5-methyl-2-oxoindol-3-ylidene)methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(E)-(1-benzyl-5-methyl-2-oxoindol-3-ylidene)methyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(E)-(1-benzyl-5-methyl-2-oxoindol-3-ylidene)methyl]-3H-quinazolin-4-one is Cc1ccc2c(c1)/C(=C\c1nc3ccccc3c(=O)[nH]1)C(=O)N2Cc1ccccc1.
What is the InChIKey of 2-[(E)-(1-benzyl-5-methyl-2-oxoindol-3-ylidene)methyl]-3H-quinazolin-4-one?
The InChIKey is IMGCXKZWULPMAQ-XSFVSMFZSA-N. The full InChI is InChI=1S/C25H19N3O2/c1-16-11-12-22-19(13-16)20(25(30)28(22)15-17-7-3-2-4-8-17)14-23-26-21-10-6-5-9-18(21)24(29)27-23/h2-14H,15H2,1H3,(H,26,27,29)/b20-14+.
What are the key properties of 2-[(E)-(1-benzyl-5-methyl-2-oxoindol-3-ylidene)methyl]-3H-quinazolin-4-one?
2-[(E)-(1-benzyl-5-methyl-2-oxoindol-3-ylidene)methyl]-3H-quinazolin-4-one has a molecular weight of 393.45 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(1-benzyl-5-methyl-2-oxoindol-3-ylidene)methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135549507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).