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

C20H17N3O — CID 2880245

IUPAC3-methyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]quinazolin-4-one
SMILESCc1[nH]c2ccccc2c1C=Cc1nc2ccccc2c(=O)n1C
InChIInChI=1S/C20H17N3O/c1-13-14(15-7-3-5-9-17(15)21-13)11-12-19-22-18-10-6-4-8-16(18)20(24)23(19)2/h3-12,21H,1-2H3
InChIKeyFJASTKHLBQBUAF-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.89
Rot. Bonds2

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

3-methyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]quinazolin-4-one (PubChem CID 2880245) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 3-methyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-methyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]quinazolin-4-one
PubChem CID2880245
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name3-methyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]quinazolin-4-one
SMILESCc1[nH]c2ccccc2c1C=Cc1nc2ccccc2c(=O)n1C
InChIInChI=1S/C20H17N3O/c1-13-14(15-7-3-5-9-17(15)21-13)11-12-19-22-18-10-6-4-8-16(18)20(24)23(19)2/h3-12,21H,1-2H3
InChIKeyFJASTKHLBQBUAF-UHFFFAOYSA-N
XLogP3.89
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.89
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-methyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]quinazolin-4-one?
The IUPAC name of 3-methyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]quinazolin-4-one (CID 2880245) is 3-methyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]quinazolin-4-one.
What is the SMILES notation for 3-methyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]quinazolin-4-one?
The canonical SMILES for 3-methyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]quinazolin-4-one is Cc1[nH]c2ccccc2c1C=Cc1nc2ccccc2c(=O)n1C.
What is the InChIKey of 3-methyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]quinazolin-4-one?
The InChIKey is FJASTKHLBQBUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c1-13-14(15-7-3-5-9-17(15)21-13)11-12-19-22-18-10-6-4-8-16(18)20(24)23(19)2/h3-12,21H,1-2H3.
What are the key properties of 3-methyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]quinazolin-4-one?
3-methyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]quinazolin-4-one has a molecular weight of 315.38 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]quinazolin-4-one is sourced from PubChem (CID 2880245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).