2-methyl-3-[(E)-thiophen-2-ylmethylideneamino]quinazolin-4-one

C14H11N3OS — CID 6900249

IUPAC2-methyl-3-[(E)-thiophen-2-ylmethylideneamino]quinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1/N=C/c1cccs1
InChIInChI=1S/C14H11N3OS/c1-10-16-13-7-3-2-6-12(13)14(18)17(10)15-9-11-5-4-8-19-11/h2-9H,1H3/b15-9+
InChIKeyUSSSQOHMOGLSLA-OQLLNIDSSA-N
MW269.33 g/mol
LogP2.65
Rot. Bonds2

About 2-methyl-3-[(E)-thiophen-2-ylmethylideneamino]quinazolin-4-one

2-methyl-3-[(E)-thiophen-2-ylmethylideneamino]quinazolin-4-one (PubChem CID 6900249) has the molecular formula C14H11N3OS and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-methyl-3-[(E)-thiophen-2-ylmethylideneamino]quinazolin-4-one.

Molecular Properties

Compound Name2-methyl-3-[(E)-thiophen-2-ylmethylideneamino]quinazolin-4-one
PubChem CID6900249
Molecular FormulaC14H11N3OS
Molecular Weight269.33 g/mol
Exact Mass269.06
IUPAC Name2-methyl-3-[(E)-thiophen-2-ylmethylideneamino]quinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1/N=C/c1cccs1
InChIInChI=1S/C14H11N3OS/c1-10-16-13-7-3-2-6-12(13)14(18)17(10)15-9-11-5-4-8-19-11/h2-9H,1H3/b15-9+
InChIKeyUSSSQOHMOGLSLA-OQLLNIDSSA-N
XLogP2.65
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(E)-thiophen-2-ylmethylideneamino]quinazolin-4-one?
The IUPAC name of 2-methyl-3-[(E)-thiophen-2-ylmethylideneamino]quinazolin-4-one (CID 6900249) is 2-methyl-3-[(E)-thiophen-2-ylmethylideneamino]quinazolin-4-one.
What is the SMILES notation for 2-methyl-3-[(E)-thiophen-2-ylmethylideneamino]quinazolin-4-one?
The canonical SMILES for 2-methyl-3-[(E)-thiophen-2-ylmethylideneamino]quinazolin-4-one is Cc1nc2ccccc2c(=O)n1/N=C/c1cccs1.
What is the InChIKey of 2-methyl-3-[(E)-thiophen-2-ylmethylideneamino]quinazolin-4-one?
The InChIKey is USSSQOHMOGLSLA-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H11N3OS/c1-10-16-13-7-3-2-6-12(13)14(18)17(10)15-9-11-5-4-8-19-11/h2-9H,1H3/b15-9+.
What are the key properties of 2-methyl-3-[(E)-thiophen-2-ylmethylideneamino]quinazolin-4-one?
2-methyl-3-[(E)-thiophen-2-ylmethylideneamino]quinazolin-4-one has a molecular weight of 269.33 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(E)-thiophen-2-ylmethylideneamino]quinazolin-4-one is sourced from PubChem (CID 6900249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).