8-fluoro-6-iodo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline

C11H10FIN2 — CID 18992183

IUPAC8-fluoro-6-iodo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline
SMILESFc1cc(I)cc2c1CN1CCCC1=N2
InChIInChI=1S/C11H10FIN2/c12-9-4-7(13)5-10-8(9)6-15-3-1-2-11(15)14-10/h4-5H,1-3,6H2
InChIKeyBYGOTNIGSJFRRC-UHFFFAOYSA-N
MW316.12 g/mol
LogP3.07
Rot. Bonds

About 8-fluoro-6-iodo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline

8-fluoro-6-iodo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline (PubChem CID 18992183) has the molecular formula C11H10FIN2 and a molecular weight of 316.12 g/mol. Its IUPAC name is 8-fluoro-6-iodo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline.

Molecular Properties

Compound Name8-fluoro-6-iodo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline
PubChem CID18992183
Molecular FormulaC11H10FIN2
Molecular Weight316.12 g/mol
Exact Mass315.99
IUPAC Name8-fluoro-6-iodo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline
SMILESFc1cc(I)cc2c1CN1CCCC1=N2
InChIInChI=1S/C11H10FIN2/c12-9-4-7(13)5-10-8(9)6-15-3-1-2-11(15)14-10/h4-5H,1-3,6H2
InChIKeyBYGOTNIGSJFRRC-UHFFFAOYSA-N
XLogP3.07
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.12
LogP ≤ 53.07
H-Bond Donors ≤ 50
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 8-fluoro-6-iodo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline?
The IUPAC name of 8-fluoro-6-iodo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline (CID 18992183) is 8-fluoro-6-iodo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline.
What is the SMILES notation for 8-fluoro-6-iodo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline?
The canonical SMILES for 8-fluoro-6-iodo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline is Fc1cc(I)cc2c1CN1CCCC1=N2.
What is the InChIKey of 8-fluoro-6-iodo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline?
The InChIKey is BYGOTNIGSJFRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FIN2/c12-9-4-7(13)5-10-8(9)6-15-3-1-2-11(15)14-10/h4-5H,1-3,6H2.
What are the key properties of 8-fluoro-6-iodo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline?
8-fluoro-6-iodo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline has a molecular weight of 316.12 g/mol, XLogP of 3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-6-iodo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline is sourced from PubChem (CID 18992183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).