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

C22H15ClN4O2 — CID 154657349

IUPAC2-(8-chloro-3-methylquinolin-6-yl)-3-(5-methylfuran-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one
SMILESCc1cnc2c(Cl)cc(-c3nc4c(=O)cc[nH]c4nc3-c3ccc(C)o3)cc2c1
InChIInChI=1S/C22H15ClN4O2/c1-11-7-13-8-14(9-15(23)18(13)25-10-11)19-21(17-4-3-12(2)29-17)27-22-20(26-19)16(28)5-6-24-22/h3-10H,1-2H3,(H,24,27,28)
InChIKeyNHTHCWUMXZNZTK-UHFFFAOYSA-N
MW402.84 g/mol
LogP5.06
Rot. Bonds2

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

2-(8-chloro-3-methylquinolin-6-yl)-3-(5-methylfuran-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one (PubChem CID 154657349) has the molecular formula C22H15ClN4O2 and a molecular weight of 402.84 g/mol. Its IUPAC name is 2-(8-chloro-3-methylquinolin-6-yl)-3-(5-methylfuran-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one.

Molecular Properties

Compound Name2-(8-chloro-3-methylquinolin-6-yl)-3-(5-methylfuran-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one
PubChem CID154657349
Molecular FormulaC22H15ClN4O2
Molecular Weight402.84 g/mol
Exact Mass402.09
IUPAC Name2-(8-chloro-3-methylquinolin-6-yl)-3-(5-methylfuran-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one
SMILESCc1cnc2c(Cl)cc(-c3nc4c(=O)cc[nH]c4nc3-c3ccc(C)o3)cc2c1
InChIInChI=1S/C22H15ClN4O2/c1-11-7-13-8-14(9-15(23)18(13)25-10-11)19-21(17-4-3-12(2)29-17)27-22-20(26-19)16(28)5-6-24-22/h3-10H,1-2H3,(H,24,27,28)
InChIKeyNHTHCWUMXZNZTK-UHFFFAOYSA-N
XLogP5.06
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.84
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(8-chloro-3-methylquinolin-6-yl)-3-(5-methylfuran-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one?
The IUPAC name of 2-(8-chloro-3-methylquinolin-6-yl)-3-(5-methylfuran-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one (CID 154657349) is 2-(8-chloro-3-methylquinolin-6-yl)-3-(5-methylfuran-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one.
What is the SMILES notation for 2-(8-chloro-3-methylquinolin-6-yl)-3-(5-methylfuran-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one?
The canonical SMILES for 2-(8-chloro-3-methylquinolin-6-yl)-3-(5-methylfuran-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one is Cc1cnc2c(Cl)cc(-c3nc4c(=O)cc[nH]c4nc3-c3ccc(C)o3)cc2c1.
What is the InChIKey of 2-(8-chloro-3-methylquinolin-6-yl)-3-(5-methylfuran-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one?
The InChIKey is NHTHCWUMXZNZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN4O2/c1-11-7-13-8-14(9-15(23)18(13)25-10-11)19-21(17-4-3-12(2)29-17)27-22-20(26-19)16(28)5-6-24-22/h3-10H,1-2H3,(H,24,27,28).
What are the key properties of 2-(8-chloro-3-methylquinolin-6-yl)-3-(5-methylfuran-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one?
2-(8-chloro-3-methylquinolin-6-yl)-3-(5-methylfuran-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one has a molecular weight of 402.84 g/mol, XLogP of 5.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-chloro-3-methylquinolin-6-yl)-3-(5-methylfuran-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one is sourced from PubChem (CID 154657349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).