2-(8-chloro-4-methylquinolin-6-yl)-3-(5-methylfuran-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one

C22H15ClN4O2 — CID 154656795

IUPAC2-(8-chloro-4-methylquinolin-6-yl)-3-(5-methylfuran-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one
SMILESCc1ccc(-c2nc3[nH]ccc(=O)c3nc2-c2cc(Cl)c3nccc(C)c3c2)o1
InChIInChI=1S/C22H15ClN4O2/c1-11-5-7-24-19-14(11)9-13(10-15(19)23)18-21(17-4-3-12(2)29-17)27-22-20(26-18)16(28)6-8-25-22/h3-10H,1-2H3,(H,25,27,28)
InChIKeyURLBTNXEHWBERA-UHFFFAOYSA-N
MW402.84 g/mol
LogP5.06
Rot. Bonds2

About 2-(8-chloro-4-methylquinolin-6-yl)-3-(5-methylfuran-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one

2-(8-chloro-4-methylquinolin-6-yl)-3-(5-methylfuran-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one (PubChem CID 154656795) has the molecular formula C22H15ClN4O2 and a molecular weight of 402.84 g/mol. Its IUPAC name is 2-(8-chloro-4-methylquinolin-6-yl)-3-(5-methylfuran-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one.

Molecular Properties

Compound Name2-(8-chloro-4-methylquinolin-6-yl)-3-(5-methylfuran-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one
PubChem CID154656795
Molecular FormulaC22H15ClN4O2
Molecular Weight402.84 g/mol
Exact Mass402.09
IUPAC Name2-(8-chloro-4-methylquinolin-6-yl)-3-(5-methylfuran-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one
SMILESCc1ccc(-c2nc3[nH]ccc(=O)c3nc2-c2cc(Cl)c3nccc(C)c3c2)o1
InChIInChI=1S/C22H15ClN4O2/c1-11-5-7-24-19-14(11)9-13(10-15(19)23)18-21(17-4-3-12(2)29-17)27-22-20(26-18)16(28)6-8-25-22/h3-10H,1-2H3,(H,25,27,28)
InChIKeyURLBTNXEHWBERA-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-4-methylquinolin-6-yl)-3-(5-methylfuran-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one?
The IUPAC name of 2-(8-chloro-4-methylquinolin-6-yl)-3-(5-methylfuran-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one (CID 154656795) is 2-(8-chloro-4-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-4-methylquinolin-6-yl)-3-(5-methylfuran-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one?
The canonical SMILES for 2-(8-chloro-4-methylquinolin-6-yl)-3-(5-methylfuran-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one is Cc1ccc(-c2nc3[nH]ccc(=O)c3nc2-c2cc(Cl)c3nccc(C)c3c2)o1.
What is the InChIKey of 2-(8-chloro-4-methylquinolin-6-yl)-3-(5-methylfuran-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one?
The InChIKey is URLBTNXEHWBERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN4O2/c1-11-5-7-24-19-14(11)9-13(10-15(19)23)18-21(17-4-3-12(2)29-17)27-22-20(26-18)16(28)6-8-25-22/h3-10H,1-2H3,(H,25,27,28).
What are the key properties of 2-(8-chloro-4-methylquinolin-6-yl)-3-(5-methylfuran-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one?
2-(8-chloro-4-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-4-methylquinolin-6-yl)-3-(5-methylfuran-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one is sourced from PubChem (CID 154656795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).