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

C29H19ClN4O3S — CID 154656614

IUPAC7-(benzenesulfonylmethyl)-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
SMILESO=c1[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4ncccc4c3)nc2cc1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C29H19ClN4O3S/c30-23-15-20(14-19-10-7-13-31-25(19)23)27-26(18-8-3-1-4-9-18)33-28-24(32-27)16-21(29(35)34-28)17-38(36,37)22-11-5-2-6-12-22/h1-16H,17H2,(H,33,34,35)
InChIKeyVJVMTAZOBZALPK-UHFFFAOYSA-N
MW539.02 g/mol
LogP5.83
Rot. Bonds5

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

7-(benzenesulfonylmethyl)-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one (PubChem CID 154656614) has the molecular formula C29H19ClN4O3S and a molecular weight of 539.02 g/mol. Its IUPAC name is 7-(benzenesulfonylmethyl)-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name7-(benzenesulfonylmethyl)-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
PubChem CID154656614
Molecular FormulaC29H19ClN4O3S
Molecular Weight539.02 g/mol
Exact Mass538.09
IUPAC Name7-(benzenesulfonylmethyl)-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
SMILESO=c1[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4ncccc4c3)nc2cc1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C29H19ClN4O3S/c30-23-15-20(14-19-10-7-13-31-25(19)23)27-26(18-8-3-1-4-9-18)33-28-24(32-27)16-21(29(35)34-28)17-38(36,37)22-11-5-2-6-12-22/h1-16H,17H2,(H,33,34,35)
InChIKeyVJVMTAZOBZALPK-UHFFFAOYSA-N
XLogP5.83
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.02
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-(benzenesulfonylmethyl)-2-(7-chloro-1H-indazol-5-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
CID 155006886
3-[3-(benzenesulfonyl)-2-oxopropyl]-6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one
CID 161103358
1-[[2-(8-chloroquinolin-6-yl)-6-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-7-yl]methyl]-3-(5-methyl-2-pyridinyl)urea
CID 155006883
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-[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]acetonitrile
CID 137438615
2-(8-chloroquinolin-6-yl)-6-ethenyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
CID 154657636
N-[[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfonamide
CID 137439050
7-bromo-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
CID 154656457
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
2-(8-chloroquinolin-6-yl)-6-cyclohexyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
CID 154656384

Frequently Asked Questions

What is the IUPAC name of 7-(benzenesulfonylmethyl)-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one?
The IUPAC name of 7-(benzenesulfonylmethyl)-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one (CID 154656614) is 7-(benzenesulfonylmethyl)-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one.
What is the SMILES notation for 7-(benzenesulfonylmethyl)-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one?
The canonical SMILES for 7-(benzenesulfonylmethyl)-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one is O=c1[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4ncccc4c3)nc2cc1CS(=O)(=O)c1ccccc1.
What is the InChIKey of 7-(benzenesulfonylmethyl)-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one?
The InChIKey is VJVMTAZOBZALPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19ClN4O3S/c30-23-15-20(14-19-10-7-13-31-25(19)23)27-26(18-8-3-1-4-9-18)33-28-24(32-27)16-21(29(35)34-28)17-38(36,37)22-11-5-2-6-12-22/h1-16H,17H2,(H,33,34,35).
What are the key properties of 7-(benzenesulfonylmethyl)-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one?
7-(benzenesulfonylmethyl)-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one has a molecular weight of 539.02 g/mol, XLogP of 5.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(benzenesulfonylmethyl)-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one is sourced from PubChem (CID 154656614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).