2-methyl-3-[(E)-(5-methylfuran-2-yl)methylideneamino]quinazolin-4-one

C15H13N3O2 — CID 6903280

IUPAC2-methyl-3-[(E)-(5-methylfuran-2-yl)methylideneamino]quinazolin-4-one
SMILESCc1ccc(/C=N/n2c(C)nc3ccccc3c2=O)o1
InChIInChI=1S/C15H13N3O2/c1-10-7-8-12(20-10)9-16-18-11(2)17-14-6-4-3-5-13(14)15(18)19/h3-9H,1-2H3/b16-9+
InChIKeyZQKJVWVTCAZBGY-CXUHLZMHSA-N
MW267.29 g/mol
LogP2.49
Rot. Bonds2

About 2-methyl-3-[(E)-(5-methylfuran-2-yl)methylideneamino]quinazolin-4-one

2-methyl-3-[(E)-(5-methylfuran-2-yl)methylideneamino]quinazolin-4-one (PubChem CID 6903280) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-methyl-3-[(E)-(5-methylfuran-2-yl)methylideneamino]quinazolin-4-one.

Molecular Properties

Compound Name2-methyl-3-[(E)-(5-methylfuran-2-yl)methylideneamino]quinazolin-4-one
PubChem CID6903280
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name2-methyl-3-[(E)-(5-methylfuran-2-yl)methylideneamino]quinazolin-4-one
SMILESCc1ccc(/C=N/n2c(C)nc3ccccc3c2=O)o1
InChIInChI=1S/C15H13N3O2/c1-10-7-8-12(20-10)9-16-18-11(2)17-14-6-4-3-5-13(14)15(18)19/h3-9H,1-2H3/b16-9+
InChIKeyZQKJVWVTCAZBGY-CXUHLZMHSA-N
XLogP2.49
TPSA60.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.49
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)-(5-methylfuran-2-yl)methylideneamino]quinazolin-4-one?
The IUPAC name of 2-methyl-3-[(E)-(5-methylfuran-2-yl)methylideneamino]quinazolin-4-one (CID 6903280) is 2-methyl-3-[(E)-(5-methylfuran-2-yl)methylideneamino]quinazolin-4-one.
What is the SMILES notation for 2-methyl-3-[(E)-(5-methylfuran-2-yl)methylideneamino]quinazolin-4-one?
The canonical SMILES for 2-methyl-3-[(E)-(5-methylfuran-2-yl)methylideneamino]quinazolin-4-one is Cc1ccc(/C=N/n2c(C)nc3ccccc3c2=O)o1.
What is the InChIKey of 2-methyl-3-[(E)-(5-methylfuran-2-yl)methylideneamino]quinazolin-4-one?
The InChIKey is ZQKJVWVTCAZBGY-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-10-7-8-12(20-10)9-16-18-11(2)17-14-6-4-3-5-13(14)15(18)19/h3-9H,1-2H3/b16-9+.
What are the key properties of 2-methyl-3-[(E)-(5-methylfuran-2-yl)methylideneamino]quinazolin-4-one?
2-methyl-3-[(E)-(5-methylfuran-2-yl)methylideneamino]quinazolin-4-one has a molecular weight of 267.29 g/mol, XLogP of 2.49, 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)-(5-methylfuran-2-yl)methylideneamino]quinazolin-4-one is sourced from PubChem (CID 6903280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).