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

C24H17ClN4O2S — CID 154656926

IUPAC2-(8-chloroquinolin-6-yl)-7-ethylsulfinyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
SMILESCCS(=O)c1c[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4ncccc4c3)nc2c1=O
InChIInChI=1S/C24H17ClN4O2S/c1-2-32(31)18-13-27-24-22(23(18)30)28-21(20(29-24)14-7-4-3-5-8-14)16-11-15-9-6-10-26-19(15)17(25)12-16/h3-13H,2H2,1H3,(H,27,29,30)
InChIKeyZZNLUTSNZGAKHB-UHFFFAOYSA-N
MW460.95 g/mol
LogP4.98
Rot. Bonds4

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

2-(8-chloroquinolin-6-yl)-7-ethylsulfinyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one (PubChem CID 154656926) has the molecular formula C24H17ClN4O2S and a molecular weight of 460.95 g/mol. Its IUPAC name is 2-(8-chloroquinolin-6-yl)-7-ethylsulfinyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one.

Molecular Properties

Compound Name2-(8-chloroquinolin-6-yl)-7-ethylsulfinyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
PubChem CID154656926
Molecular FormulaC24H17ClN4O2S
Molecular Weight460.95 g/mol
Exact Mass460.08
IUPAC Name2-(8-chloroquinolin-6-yl)-7-ethylsulfinyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
SMILESCCS(=O)c1c[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4ncccc4c3)nc2c1=O
InChIInChI=1S/C24H17ClN4O2S/c1-2-32(31)18-13-27-24-22(23(18)30)28-21(20(29-24)14-7-4-3-5-8-14)16-11-15-9-6-10-26-19(15)17(25)12-16/h3-13H,2H2,1H3,(H,27,29,30)
InChIKeyZZNLUTSNZGAKHB-UHFFFAOYSA-N
XLogP4.98
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.95
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-bromo-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
CID 154656457
2-(8-chloroquinolin-6-yl)-8-ethyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
CID 154656495
8-chloro-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
CID 154656598
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)-3-phenyl-8-(1-pyridin-2-ylethylamino)-5H-pyrido[2,3-b]pyrazin-6-one
CID 154656863
2-(8-chloroquinolin-6-yl)-6-cyclohexyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
CID 154656384
7-(benzenesulfinylmethyl)-2-(2-chloro-6-methyl-4-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
CID 155006971
7-(benzenesulfonylmethyl)-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
CID 154656614
6-(8-chloroquinolin-6-yl)-5-(methylsulfanylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one
CID 137438467
6-(8-chloroquinolin-6-yl)-5-(methylaminomethyl)-7-phenyl-1H-1,8-naphthyridin-2-one
CID 137438503

Frequently Asked Questions

What is the IUPAC name of 2-(8-chloroquinolin-6-yl)-7-ethylsulfinyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one?
The IUPAC name of 2-(8-chloroquinolin-6-yl)-7-ethylsulfinyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one (CID 154656926) is 2-(8-chloroquinolin-6-yl)-7-ethylsulfinyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one.
What is the SMILES notation for 2-(8-chloroquinolin-6-yl)-7-ethylsulfinyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one?
The canonical SMILES for 2-(8-chloroquinolin-6-yl)-7-ethylsulfinyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one is CCS(=O)c1c[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4ncccc4c3)nc2c1=O.
What is the InChIKey of 2-(8-chloroquinolin-6-yl)-7-ethylsulfinyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one?
The InChIKey is ZZNLUTSNZGAKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN4O2S/c1-2-32(31)18-13-27-24-22(23(18)30)28-21(20(29-24)14-7-4-3-5-8-14)16-11-15-9-6-10-26-19(15)17(25)12-16/h3-13H,2H2,1H3,(H,27,29,30).
What are the key properties of 2-(8-chloroquinolin-6-yl)-7-ethylsulfinyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one?
2-(8-chloroquinolin-6-yl)-7-ethylsulfinyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one has a molecular weight of 460.95 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-chloroquinolin-6-yl)-7-ethylsulfinyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one is sourced from PubChem (CID 154656926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).