5,8-dibromo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline

C11H10Br2N2 — CID 18992242

IUPAC5,8-dibromo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline
SMILESBrc1ccc(Br)c2c1CN1CCCC1=N2
InChIInChI=1S/C11H10Br2N2/c12-8-3-4-9(13)11-7(8)6-15-5-1-2-10(15)14-11/h3-4H,1-2,5-6H2
InChIKeyXETUTBWSYYRPCT-UHFFFAOYSA-N
MW330.02 g/mol
LogP3.85
Rot. Bonds

About 5,8-dibromo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline

5,8-dibromo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline (PubChem CID 18992242) has the molecular formula C11H10Br2N2 and a molecular weight of 330.02 g/mol. Its IUPAC name is 5,8-dibromo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline.

Molecular Properties

Compound Name5,8-dibromo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline
PubChem CID18992242
Molecular FormulaC11H10Br2N2
Molecular Weight330.02 g/mol
Exact Mass327.92
IUPAC Name5,8-dibromo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline
SMILESBrc1ccc(Br)c2c1CN1CCCC1=N2
InChIInChI=1S/C11H10Br2N2/c12-8-3-4-9(13)11-7(8)6-15-5-1-2-10(15)14-11/h3-4H,1-2,5-6H2
InChIKeyXETUTBWSYYRPCT-UHFFFAOYSA-N
XLogP3.85
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.02
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dibromo-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline
CID 54322248
1-bromo-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline
CID 18992664
6-bromo-8-fluoro-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline
CID 18992202
1-bromo-3-fluoro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline
CID 18992740
1-chloro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline
CID 18992823
1-fluoro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline
CID 18992546
1,2,3,5,6,7,8,9-octahydropyrrolo[2,1-b]quinazoline
CID 24870779
1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-6-ol
CID 130034310
6-chloro-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline
CID 18992286
4-chloro-3-methyl-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline
CID 18992973
6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline
CID 10241903
3,5,6,7,8,9,10,11-octahydroimidazo[1,2-a]azonin-2-one
CID 90226489

Frequently Asked Questions

What is the IUPAC name of 5,8-dibromo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline?
The IUPAC name of 5,8-dibromo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline (CID 18992242) is 5,8-dibromo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline.
What is the SMILES notation for 5,8-dibromo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline?
The canonical SMILES for 5,8-dibromo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline is Brc1ccc(Br)c2c1CN1CCCC1=N2.
What is the InChIKey of 5,8-dibromo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline?
The InChIKey is XETUTBWSYYRPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2N2/c12-8-3-4-9(13)11-7(8)6-15-5-1-2-10(15)14-11/h3-4H,1-2,5-6H2.
What are the key properties of 5,8-dibromo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline?
5,8-dibromo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline has a molecular weight of 330.02 g/mol, XLogP of 3.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dibromo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline is sourced from PubChem (CID 18992242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).