8-iodo-4-methoxyindolo[2,1-b]quinazoline-6,12-dione

C16H9IN2O3 — CID 505789

IUPAC8-iodo-4-methoxyindolo[2,1-b]quinazoline-6,12-dione
SMILESCOc1cccc2c(=O)n3c(nc12)C(=O)c1cc(I)ccc1-3
InChIInChI=1S/C16H9IN2O3/c1-22-12-4-2-3-9-13(12)18-15-14(20)10-7-8(17)5-6-11(10)19(15)16(9)21/h2-7H,1H3
InChIKeyBODHONFKPSQHDK-UHFFFAOYSA-N
MW404.16 g/mol
LogP2.54
Rot. Bonds1

About 8-iodo-4-methoxyindolo[2,1-b]quinazoline-6,12-dione

8-iodo-4-methoxyindolo[2,1-b]quinazoline-6,12-dione (PubChem CID 505789) has the molecular formula C16H9IN2O3 and a molecular weight of 404.16 g/mol. Its IUPAC name is 8-iodo-4-methoxyindolo[2,1-b]quinazoline-6,12-dione.

Molecular Properties

Compound Name8-iodo-4-methoxyindolo[2,1-b]quinazoline-6,12-dione
PubChem CID505789
Molecular FormulaC16H9IN2O3
Molecular Weight404.16 g/mol
Exact Mass403.97
IUPAC Name8-iodo-4-methoxyindolo[2,1-b]quinazoline-6,12-dione
SMILESCOc1cccc2c(=O)n3c(nc12)C(=O)c1cc(I)ccc1-3
InChIInChI=1S/C16H9IN2O3/c1-22-12-4-2-3-9-13(12)18-15-14(20)10-7-8(17)5-6-11(10)19(15)16(9)21/h2-7H,1H3
InChIKeyBODHONFKPSQHDK-UHFFFAOYSA-N
XLogP2.54
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.16
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-iodo-4-methoxyindolo[2,1-b]quinazoline-6,12-dione?
The IUPAC name of 8-iodo-4-methoxyindolo[2,1-b]quinazoline-6,12-dione (CID 505789) is 8-iodo-4-methoxyindolo[2,1-b]quinazoline-6,12-dione.
What is the SMILES notation for 8-iodo-4-methoxyindolo[2,1-b]quinazoline-6,12-dione?
The canonical SMILES for 8-iodo-4-methoxyindolo[2,1-b]quinazoline-6,12-dione is COc1cccc2c(=O)n3c(nc12)C(=O)c1cc(I)ccc1-3.
What is the InChIKey of 8-iodo-4-methoxyindolo[2,1-b]quinazoline-6,12-dione?
The InChIKey is BODHONFKPSQHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9IN2O3/c1-22-12-4-2-3-9-13(12)18-15-14(20)10-7-8(17)5-6-11(10)19(15)16(9)21/h2-7H,1H3.
What are the key properties of 8-iodo-4-methoxyindolo[2,1-b]quinazoline-6,12-dione?
8-iodo-4-methoxyindolo[2,1-b]quinazoline-6,12-dione has a molecular weight of 404.16 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-iodo-4-methoxyindolo[2,1-b]quinazoline-6,12-dione is sourced from PubChem (CID 505789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).