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

C22H12Cl2N4O — CID 154656598

IUPAC8-chloro-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
SMILESO=c1cc(Cl)c2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2[nH]1
InChIInChI=1S/C22H12Cl2N4O/c23-15-10-14(9-13-7-4-8-25-18(13)15)20-19(12-5-2-1-3-6-12)28-22-21(27-20)16(24)11-17(29)26-22/h1-11H,(H,26,28,29)
InChIKeyOWOZWBQAUVINNV-UHFFFAOYSA-N
MW419.27 g/mol
LogP5.51
Rot. Bonds2

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

8-chloro-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one (PubChem CID 154656598) has the molecular formula C22H12Cl2N4O and a molecular weight of 419.27 g/mol. Its IUPAC name is 8-chloro-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name8-chloro-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
PubChem CID154656598
Molecular FormulaC22H12Cl2N4O
Molecular Weight419.27 g/mol
Exact Mass418.04
IUPAC Name8-chloro-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
SMILESO=c1cc(Cl)c2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2[nH]1
InChIInChI=1S/C22H12Cl2N4O/c23-15-10-14(9-13-7-4-8-25-18(13)15)20-19(12-5-2-1-3-6-12)28-22-21(27-20)16(24)11-17(29)26-22/h1-11H,(H,26,28,29)
InChIKeyOWOZWBQAUVINNV-UHFFFAOYSA-N
XLogP5.51
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.27
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(8-chloroquinolin-6-yl)-8-ethyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
CID 154656495
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
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
5-(8-chloroquinolin-6-yl)-3,6-diphenylpyrazin-2-amine
CID 137431685
2-(8-chloroquinolin-6-yl)-7-ethylsulfinyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
CID 154656926
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
6-(8-chloroquinolin-6-yl)-5-(cyclopropylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one
CID 137438658
6-(8-chloroquinolin-6-yl)-7-phenyl-2,3-didehydro-1H-1,8-naphthyridin-4-one
CID 155170939

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one?
The IUPAC name of 8-chloro-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one (CID 154656598) is 8-chloro-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one.
What is the SMILES notation for 8-chloro-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one?
The canonical SMILES for 8-chloro-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one is O=c1cc(Cl)c2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2[nH]1.
What is the InChIKey of 8-chloro-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one?
The InChIKey is OWOZWBQAUVINNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12Cl2N4O/c23-15-10-14(9-13-7-4-8-25-18(13)15)20-19(12-5-2-1-3-6-12)28-22-21(27-20)16(24)11-17(29)26-22/h1-11H,(H,26,28,29).
What are the key properties of 8-chloro-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one?
8-chloro-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one has a molecular weight of 419.27 g/mol, XLogP of 5.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one is sourced from PubChem (CID 154656598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).