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

C24H17ClN4O — CID 154656495

IUPAC2-(8-chloroquinolin-6-yl)-8-ethyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
SMILESCCc1cc(=O)[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4ncccc4c3)nc12
InChIInChI=1S/C24H17ClN4O/c1-2-14-13-19(30)27-24-23(14)28-22(21(29-24)15-7-4-3-5-8-15)17-11-16-9-6-10-26-20(16)18(25)12-17/h3-13H,2H2,1H3,(H,27,29,30)
InChIKeyVJLCYAZSASKRHB-UHFFFAOYSA-N
MW412.88 g/mol
LogP5.42
Rot. Bonds3

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

2-(8-chloroquinolin-6-yl)-8-ethyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one (PubChem CID 154656495) has the molecular formula C24H17ClN4O and a molecular weight of 412.88 g/mol. Its IUPAC name is 2-(8-chloroquinolin-6-yl)-8-ethyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name2-(8-chloroquinolin-6-yl)-8-ethyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
PubChem CID154656495
Molecular FormulaC24H17ClN4O
Molecular Weight412.88 g/mol
Exact Mass412.11
IUPAC Name2-(8-chloroquinolin-6-yl)-8-ethyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
SMILESCCc1cc(=O)[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4ncccc4c3)nc12
InChIInChI=1S/C24H17ClN4O/c1-2-14-13-19(30)27-24-23(14)28-22(21(29-24)15-7-4-3-5-8-15)17-11-16-9-6-10-26-20(16)18(25)12-17/h3-13H,2H2,1H3,(H,27,29,30)
InChIKeyVJLCYAZSASKRHB-UHFFFAOYSA-N
XLogP5.42
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.88
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-chloro-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
CID 154656598
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-ethenyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
CID 154657636
2-(8-chloroquinolin-6-yl)-7-ethylsulfinyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
CID 154656926
7-bromo-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
CID 154656457
2-(8-chloroquinolin-6-yl)-6-cyclohexyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
CID 154656384
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
7-(benzenesulfonylmethyl)-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
CID 154656614
2-[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]acetonitrile
CID 137438615
5-(8-chloroquinolin-6-yl)-3,6-diphenylpyrazin-2-amine
CID 137431685
6-(8-chloroquinolin-6-yl)-5-(cyclopropylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one
CID 137438658

Frequently Asked Questions

What is the IUPAC name of 2-(8-chloroquinolin-6-yl)-8-ethyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one?
The IUPAC name of 2-(8-chloroquinolin-6-yl)-8-ethyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one (CID 154656495) is 2-(8-chloroquinolin-6-yl)-8-ethyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one.
What is the SMILES notation for 2-(8-chloroquinolin-6-yl)-8-ethyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one?
The canonical SMILES for 2-(8-chloroquinolin-6-yl)-8-ethyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one is CCc1cc(=O)[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4ncccc4c3)nc12.
What is the InChIKey of 2-(8-chloroquinolin-6-yl)-8-ethyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one?
The InChIKey is VJLCYAZSASKRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN4O/c1-2-14-13-19(30)27-24-23(14)28-22(21(29-24)15-7-4-3-5-8-15)17-11-16-9-6-10-26-20(16)18(25)12-17/h3-13H,2H2,1H3,(H,27,29,30).
What are the key properties of 2-(8-chloroquinolin-6-yl)-8-ethyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one?
2-(8-chloroquinolin-6-yl)-8-ethyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one has a molecular weight of 412.88 g/mol, XLogP of 5.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-chloroquinolin-6-yl)-8-ethyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one is sourced from PubChem (CID 154656495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).