2-(8-chloroquinolin-6-yl)-3-(5-methylfuran-2-yl)-8-(1-pyridin-2-ylethylamino)-5H-pyrido[2,3-b]pyrazin-6-one

C28H21ClN6O2 — CID 154657292

IUPAC2-(8-chloroquinolin-6-yl)-3-(5-methylfuran-2-yl)-8-(1-pyridin-2-ylethylamino)-5H-pyrido[2,3-b]pyrazin-6-one
SMILESCc1ccc(-c2nc3[nH]c(=O)cc(NC(C)c4ccccn4)c3nc2-c2cc(Cl)c3ncccc3c2)o1
InChIInChI=1S/C28H21ClN6O2/c1-15-8-9-22(37-15)27-25(18-12-17-6-5-11-31-24(17)19(29)13-18)34-26-21(14-23(36)33-28(26)35-27)32-16(2)20-7-3-4-10-30-20/h3-14,16H,1-2H3,(H2,32,33,35,36)
InChIKeyWTYOZBZAGKTKOS-UHFFFAOYSA-N
MW508.97 g/mol
LogP6.32
Rot. Bonds5

About 2-(8-chloroquinolin-6-yl)-3-(5-methylfuran-2-yl)-8-(1-pyridin-2-ylethylamino)-5H-pyrido[2,3-b]pyrazin-6-one

2-(8-chloroquinolin-6-yl)-3-(5-methylfuran-2-yl)-8-(1-pyridin-2-ylethylamino)-5H-pyrido[2,3-b]pyrazin-6-one (PubChem CID 154657292) has the molecular formula C28H21ClN6O2 and a molecular weight of 508.97 g/mol. Its IUPAC name is 2-(8-chloroquinolin-6-yl)-3-(5-methylfuran-2-yl)-8-(1-pyridin-2-ylethylamino)-5H-pyrido[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name2-(8-chloroquinolin-6-yl)-3-(5-methylfuran-2-yl)-8-(1-pyridin-2-ylethylamino)-5H-pyrido[2,3-b]pyrazin-6-one
PubChem CID154657292
Molecular FormulaC28H21ClN6O2
Molecular Weight508.97 g/mol
Exact Mass508.14
IUPAC Name2-(8-chloroquinolin-6-yl)-3-(5-methylfuran-2-yl)-8-(1-pyridin-2-ylethylamino)-5H-pyrido[2,3-b]pyrazin-6-one
SMILESCc1ccc(-c2nc3[nH]c(=O)cc(NC(C)c4ccccn4)c3nc2-c2cc(Cl)c3ncccc3c2)o1
InChIInChI=1S/C28H21ClN6O2/c1-15-8-9-22(37-15)27-25(18-12-17-6-5-11-31-24(17)19(29)13-18)34-26-21(14-23(36)33-28(26)35-27)32-16(2)20-7-3-4-10-30-20/h3-14,16H,1-2H3,(H2,32,33,35,36)
InChIKeyWTYOZBZAGKTKOS-UHFFFAOYSA-N
XLogP6.32
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.97
LogP ≤ 56.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(8-chloroquinolin-6-yl)-3-(5-methylfuran-2-yl)-8-(1-pyridin-2-ylethylamino)-5H-pyrido[2,3-b]pyrazin-6-one?
The IUPAC name of 2-(8-chloroquinolin-6-yl)-3-(5-methylfuran-2-yl)-8-(1-pyridin-2-ylethylamino)-5H-pyrido[2,3-b]pyrazin-6-one (CID 154657292) is 2-(8-chloroquinolin-6-yl)-3-(5-methylfuran-2-yl)-8-(1-pyridin-2-ylethylamino)-5H-pyrido[2,3-b]pyrazin-6-one.
What is the SMILES notation for 2-(8-chloroquinolin-6-yl)-3-(5-methylfuran-2-yl)-8-(1-pyridin-2-ylethylamino)-5H-pyrido[2,3-b]pyrazin-6-one?
The canonical SMILES for 2-(8-chloroquinolin-6-yl)-3-(5-methylfuran-2-yl)-8-(1-pyridin-2-ylethylamino)-5H-pyrido[2,3-b]pyrazin-6-one is Cc1ccc(-c2nc3[nH]c(=O)cc(NC(C)c4ccccn4)c3nc2-c2cc(Cl)c3ncccc3c2)o1.
What is the InChIKey of 2-(8-chloroquinolin-6-yl)-3-(5-methylfuran-2-yl)-8-(1-pyridin-2-ylethylamino)-5H-pyrido[2,3-b]pyrazin-6-one?
The InChIKey is WTYOZBZAGKTKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21ClN6O2/c1-15-8-9-22(37-15)27-25(18-12-17-6-5-11-31-24(17)19(29)13-18)34-26-21(14-23(36)33-28(26)35-27)32-16(2)20-7-3-4-10-30-20/h3-14,16H,1-2H3,(H2,32,33,35,36).
What are the key properties of 2-(8-chloroquinolin-6-yl)-3-(5-methylfuran-2-yl)-8-(1-pyridin-2-ylethylamino)-5H-pyrido[2,3-b]pyrazin-6-one?
2-(8-chloroquinolin-6-yl)-3-(5-methylfuran-2-yl)-8-(1-pyridin-2-ylethylamino)-5H-pyrido[2,3-b]pyrazin-6-one has a molecular weight of 508.97 g/mol, XLogP of 6.32, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-chloroquinolin-6-yl)-3-(5-methylfuran-2-yl)-8-(1-pyridin-2-ylethylamino)-5H-pyrido[2,3-b]pyrazin-6-one is sourced from PubChem (CID 154657292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).