6-iodo-4H-pyrrolo[3,2-f]quinazoline

C10H6IN3 — CID 141101168

IUPAC6-iodo-4H-pyrrolo[3,2-f]quinazoline
SMILESIc1cc2[nH]cncc2c2ccnc12
InChIInChI=1S/C10H6IN3/c11-8-3-9-7(4-12-5-14-9)6-1-2-13-10(6)8/h1-5H,(H,12,14)
InChIKeyIRWARJXZSULERA-UHFFFAOYSA-N
MW295.08 g/mol
LogP2.72
Rot. Bonds

About 6-iodo-4H-pyrrolo[3,2-f]quinazoline

6-iodo-4H-pyrrolo[3,2-f]quinazoline (PubChem CID 141101168) has the molecular formula C10H6IN3 and a molecular weight of 295.08 g/mol. Its IUPAC name is 6-iodo-4H-pyrrolo[3,2-f]quinazoline.

Molecular Properties

Compound Name6-iodo-4H-pyrrolo[3,2-f]quinazoline
PubChem CID141101168
Molecular FormulaC10H6IN3
Molecular Weight295.08 g/mol
Exact Mass294.96
IUPAC Name6-iodo-4H-pyrrolo[3,2-f]quinazoline
SMILESIc1cc2[nH]cncc2c2ccnc12
InChIInChI=1S/C10H6IN3/c11-8-3-9-7(4-12-5-14-9)6-1-2-13-10(6)8/h1-5H,(H,12,14)
InChIKeyIRWARJXZSULERA-UHFFFAOYSA-N
XLogP2.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.08
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-iodo-4H-pyrrolo[3,2-f]quinazoline?
The IUPAC name of 6-iodo-4H-pyrrolo[3,2-f]quinazoline (CID 141101168) is 6-iodo-4H-pyrrolo[3,2-f]quinazoline.
What is the SMILES notation for 6-iodo-4H-pyrrolo[3,2-f]quinazoline?
The canonical SMILES for 6-iodo-4H-pyrrolo[3,2-f]quinazoline is Ic1cc2[nH]cncc2c2ccnc12.
What is the InChIKey of 6-iodo-4H-pyrrolo[3,2-f]quinazoline?
The InChIKey is IRWARJXZSULERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6IN3/c11-8-3-9-7(4-12-5-14-9)6-1-2-13-10(6)8/h1-5H,(H,12,14).
What are the key properties of 6-iodo-4H-pyrrolo[3,2-f]quinazoline?
6-iodo-4H-pyrrolo[3,2-f]quinazoline has a molecular weight of 295.08 g/mol, XLogP of 2.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-4H-pyrrolo[3,2-f]quinazoline is sourced from PubChem (CID 141101168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).