8-bromo-6-methoxyiminoindolo[2,1-b]quinazolin-12-one

C16H10BrN3O2 — CID 73348272

IUPAC8-bromo-6-methoxyiminoindolo[2,1-b]quinazolin-12-one
SMILESCON=C1c2cc(Br)ccc2-n2c1nc1ccccc1c2=O
InChIInChI=1S/C16H10BrN3O2/c1-22-19-14-11-8-9(17)6-7-13(11)20-15(14)18-12-5-3-2-4-10(12)16(20)21/h2-8H,1H3
InChIKeyGNPQPAXOZNGSTJ-UHFFFAOYSA-N
MW356.18 g/mol
LogP2.86
Rot. Bonds1

About 8-bromo-6-methoxyiminoindolo[2,1-b]quinazolin-12-one

8-bromo-6-methoxyiminoindolo[2,1-b]quinazolin-12-one (PubChem CID 73348272) has the molecular formula C16H10BrN3O2 and a molecular weight of 356.18 g/mol. Its IUPAC name is 8-bromo-6-methoxyiminoindolo[2,1-b]quinazolin-12-one.

Molecular Properties

Compound Name8-bromo-6-methoxyiminoindolo[2,1-b]quinazolin-12-one
PubChem CID73348272
Molecular FormulaC16H10BrN3O2
Molecular Weight356.18 g/mol
Exact Mass355.00
IUPAC Name8-bromo-6-methoxyiminoindolo[2,1-b]quinazolin-12-one
SMILESCON=C1c2cc(Br)ccc2-n2c1nc1ccccc1c2=O
InChIInChI=1S/C16H10BrN3O2/c1-22-19-14-11-8-9(17)6-7-13(11)20-15(14)18-12-5-3-2-4-10(12)16(20)21/h2-8H,1H3
InChIKeyGNPQPAXOZNGSTJ-UHFFFAOYSA-N
XLogP2.86
TPSA56.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.18
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-methoxyiminoindolo[2,1-b]quinazolin-12-one?
The IUPAC name of 8-bromo-6-methoxyiminoindolo[2,1-b]quinazolin-12-one (CID 73348272) is 8-bromo-6-methoxyiminoindolo[2,1-b]quinazolin-12-one.
What is the SMILES notation for 8-bromo-6-methoxyiminoindolo[2,1-b]quinazolin-12-one?
The canonical SMILES for 8-bromo-6-methoxyiminoindolo[2,1-b]quinazolin-12-one is CON=C1c2cc(Br)ccc2-n2c1nc1ccccc1c2=O.
What is the InChIKey of 8-bromo-6-methoxyiminoindolo[2,1-b]quinazolin-12-one?
The InChIKey is GNPQPAXOZNGSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrN3O2/c1-22-19-14-11-8-9(17)6-7-13(11)20-15(14)18-12-5-3-2-4-10(12)16(20)21/h2-8H,1H3.
What are the key properties of 8-bromo-6-methoxyiminoindolo[2,1-b]quinazolin-12-one?
8-bromo-6-methoxyiminoindolo[2,1-b]quinazolin-12-one has a molecular weight of 356.18 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-methoxyiminoindolo[2,1-b]quinazolin-12-one is sourced from PubChem (CID 73348272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).