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

C19H21BrN4 — CID 164860548

IUPAC4-(2-bromopyrrolo[2,3-b]pyrazin-5-yl)quinoline;ethane
SMILESBrc1cnc2c(ccn2-c2ccnc3ccccc23)n1.CC.CC
InChIInChI=1S/C15H9BrN4.2C2H6/c16-14-9-18-15-12(19-14)6-8-20(15)13-5-7-17-11-4-2-1-3-10(11)13;2*1-2/h1-9H;2*1-2H3
InChIKeyUGEAZGNKPNVKCS-UHFFFAOYSA-N
MW385.31 g/mol
LogP5.78
Rot. Bonds1

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

4-(2-bromopyrrolo[2,3-b]pyrazin-5-yl)quinoline;ethane (PubChem CID 164860548) has the molecular formula C19H21BrN4 and a molecular weight of 385.31 g/mol. Its IUPAC name is 4-(2-bromopyrrolo[2,3-b]pyrazin-5-yl)quinoline;ethane.

Molecular Properties

Compound Name4-(2-bromopyrrolo[2,3-b]pyrazin-5-yl)quinoline;ethane
PubChem CID164860548
Molecular FormulaC19H21BrN4
Molecular Weight385.31 g/mol
Exact Mass384.09
IUPAC Name4-(2-bromopyrrolo[2,3-b]pyrazin-5-yl)quinoline;ethane
SMILESBrc1cnc2c(ccn2-c2ccnc3ccccc23)n1.CC.CC
InChIInChI=1S/C15H9BrN4.2C2H6/c16-14-9-18-15-12(19-14)6-8-20(15)13-5-7-17-11-4-2-1-3-10(11)13;2*1-2/h1-9H;2*1-2H3
InChIKeyUGEAZGNKPNVKCS-UHFFFAOYSA-N
XLogP5.78
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.31
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-bromopyrrolo[2,3-b]pyrazin-5-yl)quinoline
CID 164860549
2-bromo-5-(2-methylpropyl)pyrrolo[2,3-b]pyrazine
CID 162679044
4-(4-bromopyrazol-1-yl)quinoline
CID 61339389
5-bromo-1-quinolin-4-yl-1,2,4-triazol-3-amine
CID 103099001
ethane;4-methylquinoline
CID 90853056
4-chloroquinoline;ethane
CID 91461667
bis(4-tert-butylquinoline);ethane;methane
CID 158221775
(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-bromoquinoline;ethane
CID 142484600
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

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromopyrrolo[2,3-b]pyrazin-5-yl)quinoline;ethane?
The IUPAC name of 4-(2-bromopyrrolo[2,3-b]pyrazin-5-yl)quinoline;ethane (CID 164860548) is 4-(2-bromopyrrolo[2,3-b]pyrazin-5-yl)quinoline;ethane.
What is the SMILES notation for 4-(2-bromopyrrolo[2,3-b]pyrazin-5-yl)quinoline;ethane?
The canonical SMILES for 4-(2-bromopyrrolo[2,3-b]pyrazin-5-yl)quinoline;ethane is Brc1cnc2c(ccn2-c2ccnc3ccccc23)n1.CC.CC.
What is the InChIKey of 4-(2-bromopyrrolo[2,3-b]pyrazin-5-yl)quinoline;ethane?
The InChIKey is UGEAZGNKPNVKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrN4.2C2H6/c16-14-9-18-15-12(19-14)6-8-20(15)13-5-7-17-11-4-2-1-3-10(11)13;2*1-2/h1-9H;2*1-2H3.
What are the key properties of 4-(2-bromopyrrolo[2,3-b]pyrazin-5-yl)quinoline;ethane?
4-(2-bromopyrrolo[2,3-b]pyrazin-5-yl)quinoline;ethane has a molecular weight of 385.31 g/mol, XLogP of 5.78, 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;ethane is sourced from PubChem (CID 164860548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).