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

C11H10BrFN2 — CID 18992202

IUPAC6-bromo-8-fluoro-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline
SMILESFc1cc(Br)cc2c1CN1CCCC1=N2
InChIInChI=1S/C11H10BrFN2/c12-7-4-9(13)8-6-15-3-1-2-11(15)14-10(8)5-7/h4-5H,1-3,6H2
InChIKeyOHECHGNASXOEPI-UHFFFAOYSA-N
MW269.12 g/mol
LogP3.23
Rot. Bonds

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

6-bromo-8-fluoro-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline (PubChem CID 18992202) has the molecular formula C11H10BrFN2 and a molecular weight of 269.12 g/mol. Its IUPAC name is 6-bromo-8-fluoro-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline.

Molecular Properties

Compound Name6-bromo-8-fluoro-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline
PubChem CID18992202
Molecular FormulaC11H10BrFN2
Molecular Weight269.12 g/mol
Exact Mass268.00
IUPAC Name6-bromo-8-fluoro-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline
SMILESFc1cc(Br)cc2c1CN1CCCC1=N2
InChIInChI=1S/C11H10BrFN2/c12-7-4-9(13)8-6-15-3-1-2-11(15)14-10(8)5-7/h4-5H,1-3,6H2
InChIKeyOHECHGNASXOEPI-UHFFFAOYSA-N
XLogP3.23
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.12
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-fluoro-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline?
The IUPAC name of 6-bromo-8-fluoro-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline (CID 18992202) is 6-bromo-8-fluoro-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline.
What is the SMILES notation for 6-bromo-8-fluoro-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline?
The canonical SMILES for 6-bromo-8-fluoro-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline is Fc1cc(Br)cc2c1CN1CCCC1=N2.
What is the InChIKey of 6-bromo-8-fluoro-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline?
The InChIKey is OHECHGNASXOEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2/c12-7-4-9(13)8-6-15-3-1-2-11(15)14-10(8)5-7/h4-5H,1-3,6H2.
What are the key properties of 6-bromo-8-fluoro-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline?
6-bromo-8-fluoro-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline has a molecular weight of 269.12 g/mol, XLogP of 3.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-fluoro-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline is sourced from PubChem (CID 18992202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).