4-(2,4-dimethylanilino)spiro[1H-quinazoline-2,2'-indene]-1',3'-dione

C24H19N3O2 — CID 162640170

IUPAC4-(2,4-dimethylanilino)spiro[1H-quinazoline-2,2'-indene]-1',3'-dione
SMILESCc1ccc(NC2=NC3(Nc4ccccc42)C(=O)c2ccccc2C3=O)c(C)c1
InChIInChI=1S/C24H19N3O2/c1-14-11-12-19(15(2)13-14)25-23-18-9-5-6-10-20(18)26-24(27-23)21(28)16-7-3-4-8-17(16)22(24)29/h3-13,26H,1-2H3,(H,25,27)
InChIKeyFWTQXZAHJKNXGD-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.36
Rot. Bonds1

About 4-(2,4-dimethylanilino)spiro[1H-quinazoline-2,2'-indene]-1',3'-dione

4-(2,4-dimethylanilino)spiro[1H-quinazoline-2,2'-indene]-1',3'-dione (PubChem CID 162640170) has the molecular formula C24H19N3O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 4-(2,4-dimethylanilino)spiro[1H-quinazoline-2,2'-indene]-1',3'-dione.

Molecular Properties

Compound Name4-(2,4-dimethylanilino)spiro[1H-quinazoline-2,2'-indene]-1',3'-dione
PubChem CID162640170
Molecular FormulaC24H19N3O2
Molecular Weight381.44 g/mol
Exact Mass381.15
IUPAC Name4-(2,4-dimethylanilino)spiro[1H-quinazoline-2,2'-indene]-1',3'-dione
SMILESCc1ccc(NC2=NC3(Nc4ccccc42)C(=O)c2ccccc2C3=O)c(C)c1
InChIInChI=1S/C24H19N3O2/c1-14-11-12-19(15(2)13-14)25-23-18-9-5-6-10-20(18)26-24(27-23)21(28)16-7-3-4-8-17(16)22(24)29/h3-13,26H,1-2H3,(H,25,27)
InChIKeyFWTQXZAHJKNXGD-UHFFFAOYSA-N
XLogP4.36
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-(2,4-dimethylanilino)-1,3-dihydroindol-2-one
CID 43189774
1-amino-4-(2,4-dimethylanilino)anthracene-9,10-dione
CID 12609645
2-(2,4-dimethylanilino)-3-pyridin-1-ium-1-ylnaphthalene-1,4-dione
CID 19209206
N-(2,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 42930651
2-N-(2,4-dimethylphenyl)benzene-1,2-diamine
CID 29067178
5-(2,4-dimethylanilino)-2H-1,2,4-triazine-3-thione
CID 2134065
2-[4-(2,4-dimethylanilino)quinazolin-2-yl]phenol
CID 2057502
N-(2,4-dimethylphenyl)-2-[(2R)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetamide
CID 702403
2-(2,5-dimethylphenyl)-2-hydroxyindene-1,3-dione
CID 10730454
N-(2,4-dimethylphenyl)-1H-pyrazol-5-amine
CID 90804620
N-(1,3-dioxoisoindol-4-yl)-2,4-dimethylbenzamide
CID 2086901
2-(2,4-dimethylphenyl)-2-[2-(2,4-dimethylphenyl)-1H-indol-3-yl]-1H-indol-3-one
CID 10575786

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylanilino)spiro[1H-quinazoline-2,2'-indene]-1',3'-dione?
The IUPAC name of 4-(2,4-dimethylanilino)spiro[1H-quinazoline-2,2'-indene]-1',3'-dione (CID 162640170) is 4-(2,4-dimethylanilino)spiro[1H-quinazoline-2,2'-indene]-1',3'-dione.
What is the SMILES notation for 4-(2,4-dimethylanilino)spiro[1H-quinazoline-2,2'-indene]-1',3'-dione?
The canonical SMILES for 4-(2,4-dimethylanilino)spiro[1H-quinazoline-2,2'-indene]-1',3'-dione is Cc1ccc(NC2=NC3(Nc4ccccc42)C(=O)c2ccccc2C3=O)c(C)c1.
What is the InChIKey of 4-(2,4-dimethylanilino)spiro[1H-quinazoline-2,2'-indene]-1',3'-dione?
The InChIKey is FWTQXZAHJKNXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2/c1-14-11-12-19(15(2)13-14)25-23-18-9-5-6-10-20(18)26-24(27-23)21(28)16-7-3-4-8-17(16)22(24)29/h3-13,26H,1-2H3,(H,25,27).
What are the key properties of 4-(2,4-dimethylanilino)spiro[1H-quinazoline-2,2'-indene]-1',3'-dione?
4-(2,4-dimethylanilino)spiro[1H-quinazoline-2,2'-indene]-1',3'-dione has a molecular weight of 381.44 g/mol, XLogP of 4.36, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylanilino)spiro[1H-quinazoline-2,2'-indene]-1',3'-dione is sourced from PubChem (CID 162640170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).