7-bromo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline

C11H11BrN2 — CID 928277

IUPAC7-bromo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline
SMILESBrc1ccc2c(c1)CN1CCCC1=N2
InChIInChI=1S/C11H11BrN2/c12-9-3-4-10-8(6-9)7-14-5-1-2-11(14)13-10/h3-4,6H,1-2,5,7H2
InChIKeyIXRIYMMZXPUXNJ-UHFFFAOYSA-N
MW251.13 g/mol
LogP3.09
Rot. Bonds

About 7-bromo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline

7-bromo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline (PubChem CID 928277) has the molecular formula C11H11BrN2 and a molecular weight of 251.13 g/mol. Its IUPAC name is 7-bromo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline.

Molecular Properties

Compound Name7-bromo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline
PubChem CID928277
Molecular FormulaC11H11BrN2
Molecular Weight251.13 g/mol
Exact Mass250.01
IUPAC Name7-bromo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline
SMILESBrc1ccc2c(c1)CN1CCCC1=N2
InChIInChI=1S/C11H11BrN2/c12-9-3-4-10-8(6-9)7-14-5-1-2-11(14)13-10/h3-4,6H,1-2,5,7H2
InChIKeyIXRIYMMZXPUXNJ-UHFFFAOYSA-N
XLogP3.09
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.13
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline?
The IUPAC name of 7-bromo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline (CID 928277) is 7-bromo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline.
What is the SMILES notation for 7-bromo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline?
The canonical SMILES for 7-bromo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline is Brc1ccc2c(c1)CN1CCCC1=N2.
What is the InChIKey of 7-bromo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline?
The InChIKey is IXRIYMMZXPUXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2/c12-9-3-4-10-8(6-9)7-14-5-1-2-11(14)13-10/h3-4,6H,1-2,5,7H2.
What are the key properties of 7-bromo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline?
7-bromo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline has a molecular weight of 251.13 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline is sourced from PubChem (CID 928277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).