3-ethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]quinazolin-4-one

C21H19N3O — CID 3125241

IUPAC3-ethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]quinazolin-4-one
SMILESCCn1c(C=Cc2c(C)[nH]c3ccccc23)nc2ccccc2c1=O
InChIInChI=1S/C21H19N3O/c1-3-24-20(23-19-11-7-5-9-17(19)21(24)25)13-12-15-14(2)22-18-10-6-4-8-16(15)18/h4-13,22H,3H2,1-2H3
InChIKeyIOWRYAAXGNIWOH-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.38
Rot. Bonds3

About 3-ethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]quinazolin-4-one

3-ethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]quinazolin-4-one (PubChem CID 3125241) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-ethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-ethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]quinazolin-4-one
PubChem CID3125241
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name3-ethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]quinazolin-4-one
SMILESCCn1c(C=Cc2c(C)[nH]c3ccccc23)nc2ccccc2c1=O
InChIInChI=1S/C21H19N3O/c1-3-24-20(23-19-11-7-5-9-17(19)21(24)25)13-12-15-14(2)22-18-10-6-4-8-16(15)18/h4-13,22H,3H2,1-2H3
InChIKeyIOWRYAAXGNIWOH-UHFFFAOYSA-N
XLogP4.38
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]quinazolin-4-one?
The IUPAC name of 3-ethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]quinazolin-4-one (CID 3125241) is 3-ethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]quinazolin-4-one.
What is the SMILES notation for 3-ethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]quinazolin-4-one?
The canonical SMILES for 3-ethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]quinazolin-4-one is CCn1c(C=Cc2c(C)[nH]c3ccccc23)nc2ccccc2c1=O.
What is the InChIKey of 3-ethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]quinazolin-4-one?
The InChIKey is IOWRYAAXGNIWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c1-3-24-20(23-19-11-7-5-9-17(19)21(24)25)13-12-15-14(2)22-18-10-6-4-8-16(15)18/h4-13,22H,3H2,1-2H3.
What are the key properties of 3-ethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]quinazolin-4-one?
3-ethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]quinazolin-4-one has a molecular weight of 329.40 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]quinazolin-4-one is sourced from PubChem (CID 3125241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).