7-bromo-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one

C22H12BrClN4O — CID 154656457

IUPAC7-bromo-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
SMILESO=c1c(Br)c[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4ncccc4c3)nc12
InChIInChI=1S/C22H12BrClN4O/c23-15-11-26-22-20(21(15)29)27-19(18(28-22)12-5-2-1-3-6-12)14-9-13-7-4-8-25-17(13)16(24)10-14/h1-11H,(H,26,28,29)
InChIKeyXBPDOSHFONJVSU-UHFFFAOYSA-N
MW463.72 g/mol
LogP5.62
Rot. Bonds2

About 7-bromo-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one

7-bromo-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one (PubChem CID 154656457) has the molecular formula C22H12BrClN4O and a molecular weight of 463.72 g/mol. Its IUPAC name is 7-bromo-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one.

Molecular Properties

Compound Name7-bromo-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
PubChem CID154656457
Molecular FormulaC22H12BrClN4O
Molecular Weight463.72 g/mol
Exact Mass461.99
IUPAC Name7-bromo-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
SMILESO=c1c(Br)c[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4ncccc4c3)nc12
InChIInChI=1S/C22H12BrClN4O/c23-15-11-26-22-20(21(15)29)27-19(18(28-22)12-5-2-1-3-6-12)14-9-13-7-4-8-25-17(13)16(24)10-14/h1-11H,(H,26,28,29)
InChIKeyXBPDOSHFONJVSU-UHFFFAOYSA-N
XLogP5.62
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.72
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(8-chloroquinolin-6-yl)-7-ethylsulfinyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
CID 154656926
8-chloro-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
CID 154656598
2-(8-chloroquinolin-6-yl)-8-ethyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
CID 154656495
2-(8-chloroquinolin-6-yl)-6-ethenyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
CID 154657636
5-(8-chloroquinolin-6-yl)-3,6-diphenylpyrazin-2-amine
CID 137431685
6-(8-chloroquinolin-6-yl)-7-phenyl-3-(1H-pyrazol-5-yl)-1H-1,8-naphthyridin-4-one
CID 137438313
2-(8-chloroquinolin-6-yl)-6-cyclohexyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
CID 154656384
6-(8-chloroquinolin-6-yl)-7-phenyl-2,3-didehydro-1H-1,8-naphthyridin-4-one
CID 155170939
2-(8-chloroquinolin-6-yl)-3-phenyl-8-(1-pyridin-2-ylethylamino)-5H-pyrido[2,3-b]pyrazin-6-one
CID 154656863
5-(8-chloroquinolin-6-yl)-6-phenyl-3-N-pyridin-3-ylpyrazine-2,3-diamine
CID 137431844
7-(benzenesulfonylmethyl)-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
CID 154656614
3-amino-6-(8-chloroquinolin-6-yl)-N-cyclohexyl-5-phenylpyrazine-2-carboxamide
CID 137430775

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one?
The IUPAC name of 7-bromo-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one (CID 154656457) is 7-bromo-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one.
What is the SMILES notation for 7-bromo-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one?
The canonical SMILES for 7-bromo-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one is O=c1c(Br)c[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4ncccc4c3)nc12.
What is the InChIKey of 7-bromo-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one?
The InChIKey is XBPDOSHFONJVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12BrClN4O/c23-15-11-26-22-20(21(15)29)27-19(18(28-22)12-5-2-1-3-6-12)14-9-13-7-4-8-25-17(13)16(24)10-14/h1-11H,(H,26,28,29).
What are the key properties of 7-bromo-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one?
7-bromo-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one has a molecular weight of 463.72 g/mol, XLogP of 5.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one is sourced from PubChem (CID 154656457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).