4-(2-bromopyrrolo[2,3-b]pyrazin-5-yl)quinoline

C15H9BrN4 — CID 164860549

IUPAC4-(2-bromopyrrolo[2,3-b]pyrazin-5-yl)quinoline
SMILESBrc1cnc2c(ccn2-c2ccnc3ccccc23)n1
InChIInChI=1S/C15H9BrN4/c16-14-9-18-15-12(19-14)6-8-20(15)13-5-7-17-11-4-2-1-3-10(11)13/h1-9H
InChIKeyTYMOOCCLHVJTLP-UHFFFAOYSA-N
MW325.17 g/mol
LogP3.73
Rot. Bonds1

About 4-(2-bromopyrrolo[2,3-b]pyrazin-5-yl)quinoline

4-(2-bromopyrrolo[2,3-b]pyrazin-5-yl)quinoline (PubChem CID 164860549) has the molecular formula C15H9BrN4 and a molecular weight of 325.17 g/mol. Its IUPAC name is 4-(2-bromopyrrolo[2,3-b]pyrazin-5-yl)quinoline.

Molecular Properties

Compound Name4-(2-bromopyrrolo[2,3-b]pyrazin-5-yl)quinoline
PubChem CID164860549
Molecular FormulaC15H9BrN4
Molecular Weight325.17 g/mol
Exact Mass324.00
IUPAC Name4-(2-bromopyrrolo[2,3-b]pyrazin-5-yl)quinoline
SMILESBrc1cnc2c(ccn2-c2ccnc3ccccc23)n1
InChIInChI=1S/C15H9BrN4/c16-14-9-18-15-12(19-14)6-8-20(15)13-5-7-17-11-4-2-1-3-10(11)13/h1-9H
InChIKeyTYMOOCCLHVJTLP-UHFFFAOYSA-N
XLogP3.73
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-bromopyrrolo[2,3-b]pyrazin-5-yl)quinoline;ethane
CID 164860548
4-(4-bromopyrazol-1-yl)quinoline
CID 61339389
2-bromo-5-(2-methylpropyl)pyrrolo[2,3-b]pyrazine
CID 162679044
5-bromo-1-quinolin-4-yl-1,2,4-triazol-3-amine
CID 103099001
15-quinolin-4-yl-15-azaheptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16(25),17,19(24),20,22-dodecaene
CID 162770142
4-(3-bromo-8-azabicyclo[3.2.1]octan-8-yl)quinoline
CID 80668327
1-quinolin-4-ylpiperidin-4-one
CID 22000285
(1S)-3-(3-methyl-5-quinolin-5-ylpyrrolo[2,3-b]pyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 139512132
5-imidazo[4,5-b]pyrazin-3-ylquinoline
CID 67318104
4-[3-(trifluoromethyl)azetidin-1-yl]quinoline
CID 163356425
[2-(5-bromopyrrolo[2,3-b]pyridin-1-yl)phenyl]methanol
CID 155930864
4,7-di(indol-1-yl)-1,10-phenanthroline
CID 102455108

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromopyrrolo[2,3-b]pyrazin-5-yl)quinoline?
The IUPAC name of 4-(2-bromopyrrolo[2,3-b]pyrazin-5-yl)quinoline (CID 164860549) is 4-(2-bromopyrrolo[2,3-b]pyrazin-5-yl)quinoline.
What is the SMILES notation for 4-(2-bromopyrrolo[2,3-b]pyrazin-5-yl)quinoline?
The canonical SMILES for 4-(2-bromopyrrolo[2,3-b]pyrazin-5-yl)quinoline is Brc1cnc2c(ccn2-c2ccnc3ccccc23)n1.
What is the InChIKey of 4-(2-bromopyrrolo[2,3-b]pyrazin-5-yl)quinoline?
The InChIKey is TYMOOCCLHVJTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrN4/c16-14-9-18-15-12(19-14)6-8-20(15)13-5-7-17-11-4-2-1-3-10(11)13/h1-9H.
What are the key properties of 4-(2-bromopyrrolo[2,3-b]pyrazin-5-yl)quinoline?
4-(2-bromopyrrolo[2,3-b]pyrazin-5-yl)quinoline has a molecular weight of 325.17 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromopyrrolo[2,3-b]pyrazin-5-yl)quinoline is sourced from PubChem (CID 164860549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).