2-[(E)-(1-ethyl-2-oxoindol-3-ylidene)methyl]-3-phenylquinazolin-4-one

C25H19N3O2 — CID 5336431

IUPAC2-[(E)-(1-ethyl-2-oxoindol-3-ylidene)methyl]-3-phenylquinazolin-4-one
SMILESCCN1C(=O)/C(=C/c2nc3ccccc3c(=O)n2-c2ccccc2)c2ccccc21
InChIInChI=1S/C25H19N3O2/c1-2-27-22-15-9-7-12-18(22)20(24(27)29)16-23-26-21-14-8-6-13-19(21)25(30)28(23)17-10-4-3-5-11-17/h3-16H,2H2,1H3/b20-16+
InChIKeyYTNXBDRGDUEWNI-CAPFRKAQSA-N
MW393.45 g/mol
LogP4.29
Rot. Bonds3

About 2-[(E)-(1-ethyl-2-oxoindol-3-ylidene)methyl]-3-phenylquinazolin-4-one

2-[(E)-(1-ethyl-2-oxoindol-3-ylidene)methyl]-3-phenylquinazolin-4-one (PubChem CID 5336431) has the molecular formula C25H19N3O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 2-[(E)-(1-ethyl-2-oxoindol-3-ylidene)methyl]-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name2-[(E)-(1-ethyl-2-oxoindol-3-ylidene)methyl]-3-phenylquinazolin-4-one
PubChem CID5336431
Molecular FormulaC25H19N3O2
Molecular Weight393.45 g/mol
Exact Mass393.15
IUPAC Name2-[(E)-(1-ethyl-2-oxoindol-3-ylidene)methyl]-3-phenylquinazolin-4-one
SMILESCCN1C(=O)/C(=C/c2nc3ccccc3c(=O)n2-c2ccccc2)c2ccccc21
InChIInChI=1S/C25H19N3O2/c1-2-27-22-15-9-7-12-18(22)20(24(27)29)16-23-26-21-14-8-6-13-19(21)25(30)28(23)17-10-4-3-5-11-17/h3-16H,2H2,1H3/b20-16+
InChIKeyYTNXBDRGDUEWNI-CAPFRKAQSA-N
XLogP4.29
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(1-ethyl-2-oxoindol-3-ylidene)methyl]-3-phenylquinazolin-4-one?
The IUPAC name of 2-[(E)-(1-ethyl-2-oxoindol-3-ylidene)methyl]-3-phenylquinazolin-4-one (CID 5336431) is 2-[(E)-(1-ethyl-2-oxoindol-3-ylidene)methyl]-3-phenylquinazolin-4-one.
What is the SMILES notation for 2-[(E)-(1-ethyl-2-oxoindol-3-ylidene)methyl]-3-phenylquinazolin-4-one?
The canonical SMILES for 2-[(E)-(1-ethyl-2-oxoindol-3-ylidene)methyl]-3-phenylquinazolin-4-one is CCN1C(=O)/C(=C/c2nc3ccccc3c(=O)n2-c2ccccc2)c2ccccc21.
What is the InChIKey of 2-[(E)-(1-ethyl-2-oxoindol-3-ylidene)methyl]-3-phenylquinazolin-4-one?
The InChIKey is YTNXBDRGDUEWNI-CAPFRKAQSA-N. The full InChI is InChI=1S/C25H19N3O2/c1-2-27-22-15-9-7-12-18(22)20(24(27)29)16-23-26-21-14-8-6-13-19(21)25(30)28(23)17-10-4-3-5-11-17/h3-16H,2H2,1H3/b20-16+.
What are the key properties of 2-[(E)-(1-ethyl-2-oxoindol-3-ylidene)methyl]-3-phenylquinazolin-4-one?
2-[(E)-(1-ethyl-2-oxoindol-3-ylidene)methyl]-3-phenylquinazolin-4-one has a molecular weight of 393.45 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(1-ethyl-2-oxoindol-3-ylidene)methyl]-3-phenylquinazolin-4-one is sourced from PubChem (CID 5336431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).