6-bromo-2-methyl-3-[(3-methylfuran-2-yl)methylideneamino]quinazolin-4-one

C15H12BrN3O2 — CID 126308490

IUPAC6-bromo-2-methyl-3-[(3-methylfuran-2-yl)methylideneamino]quinazolin-4-one
SMILESCc1ccoc1C=Nn1c(C)nc2ccc(Br)cc2c1=O
InChIInChI=1S/C15H12BrN3O2/c1-9-5-6-21-14(9)8-17-19-10(2)18-13-4-3-11(16)7-12(13)15(19)20/h3-8H,1-2H3
InChIKeyDJCNNBPCWZLKJN-UHFFFAOYSA-N
MW346.18 g/mol
LogP3.25
Rot. Bonds2

About 6-bromo-2-methyl-3-[(3-methylfuran-2-yl)methylideneamino]quinazolin-4-one

6-bromo-2-methyl-3-[(3-methylfuran-2-yl)methylideneamino]quinazolin-4-one (PubChem CID 126308490) has the molecular formula C15H12BrN3O2 and a molecular weight of 346.18 g/mol. Its IUPAC name is 6-bromo-2-methyl-3-[(3-methylfuran-2-yl)methylideneamino]quinazolin-4-one.

Molecular Properties

Compound Name6-bromo-2-methyl-3-[(3-methylfuran-2-yl)methylideneamino]quinazolin-4-one
PubChem CID126308490
Molecular FormulaC15H12BrN3O2
Molecular Weight346.18 g/mol
Exact Mass345.01
IUPAC Name6-bromo-2-methyl-3-[(3-methylfuran-2-yl)methylideneamino]quinazolin-4-one
SMILESCc1ccoc1C=Nn1c(C)nc2ccc(Br)cc2c1=O
InChIInChI=1S/C15H12BrN3O2/c1-9-5-6-21-14(9)8-17-19-10(2)18-13-4-3-11(16)7-12(13)15(19)20/h3-8H,1-2H3
InChIKeyDJCNNBPCWZLKJN-UHFFFAOYSA-N
XLogP3.25
TPSA60.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-3-[(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-methylquinazolin-4-one
CID 137125747
6-bromo-3-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 137125807
6-bromo-3-[(4-chlorophenyl)methylideneamino]-2-methylquinazolin-4-one
CID 74406616
6-bromo-3-[(4-fluorophenyl)methylideneamino]-2-methylquinazolin-4-one
CID 126307039
6-bromo-3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 135926154
6-bromo-3-[[2,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrrol-3-yl]methylideneamino]-2-methylquinazolin-4-one
CID 126291584
6-bromo-3-[(3,5-dibromo-4-ethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 126288143
6-bromo-3-[(3-fluorophenyl)methylideneamino]-2-methylquinazolin-4-one
CID 126305274
6-bromo-3-[(2-chloro-4-nitrophenyl)methylideneamino]-2-methylquinazolin-4-one
CID 126308435
6-bromo-3-[(2,4-diethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 126300391
6-bromo-3-[[4-[(2S)-butan-2-yl]oxy-3,5-diiodophenyl]methylideneamino]-2-methylquinazolin-4-one
CID 126312686
6-bromo-3-[(5-bromo-2-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 126285741

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methyl-3-[(3-methylfuran-2-yl)methylideneamino]quinazolin-4-one?
The IUPAC name of 6-bromo-2-methyl-3-[(3-methylfuran-2-yl)methylideneamino]quinazolin-4-one (CID 126308490) is 6-bromo-2-methyl-3-[(3-methylfuran-2-yl)methylideneamino]quinazolin-4-one.
What is the SMILES notation for 6-bromo-2-methyl-3-[(3-methylfuran-2-yl)methylideneamino]quinazolin-4-one?
The canonical SMILES for 6-bromo-2-methyl-3-[(3-methylfuran-2-yl)methylideneamino]quinazolin-4-one is Cc1ccoc1C=Nn1c(C)nc2ccc(Br)cc2c1=O.
What is the InChIKey of 6-bromo-2-methyl-3-[(3-methylfuran-2-yl)methylideneamino]quinazolin-4-one?
The InChIKey is DJCNNBPCWZLKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O2/c1-9-5-6-21-14(9)8-17-19-10(2)18-13-4-3-11(16)7-12(13)15(19)20/h3-8H,1-2H3.
What are the key properties of 6-bromo-2-methyl-3-[(3-methylfuran-2-yl)methylideneamino]quinazolin-4-one?
6-bromo-2-methyl-3-[(3-methylfuran-2-yl)methylideneamino]quinazolin-4-one has a molecular weight of 346.18 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methyl-3-[(3-methylfuran-2-yl)methylideneamino]quinazolin-4-one is sourced from PubChem (CID 126308490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).