6-[[[3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-5,6,7,8-tetrahydroquinolin-7-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C25H23N7O4 — CID 25022397

IUPAC6-[[[3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-5,6,7,8-tetrahydroquinolin-7-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCOc1ccc2ncc(=O)n(-c3cnc4c(c3)CCC(NCc3ccc5c(n3)NC(=O)CO5)C4)c2n1
InChIInChI=1S/C25H23N7O4/c1-35-22-7-5-18-25(31-22)32(23(34)12-28-18)17-8-14-2-3-15(9-19(14)27-11-17)26-10-16-4-6-20-24(29-16)30-21(33)13-36-20/h4-8,11-12,15,26H,2-3,9-10,13H2,1H3,(H,29,30,33)
InChIKeyOUPZKYSPOJYNPP-UHFFFAOYSA-N
MW485.50 g/mol
LogP1.56
Rot. Bonds5

About 6-[[[3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-5,6,7,8-tetrahydroquinolin-7-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-[[[3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-5,6,7,8-tetrahydroquinolin-7-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 25022397) has the molecular formula C25H23N7O4 and a molecular weight of 485.50 g/mol. Its IUPAC name is 6-[[[3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-5,6,7,8-tetrahydroquinolin-7-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-[[[3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-5,6,7,8-tetrahydroquinolin-7-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID25022397
Molecular FormulaC25H23N7O4
Molecular Weight485.50 g/mol
Exact Mass485.18
IUPAC Name6-[[[3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-5,6,7,8-tetrahydroquinolin-7-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCOc1ccc2ncc(=O)n(-c3cnc4c(c3)CCC(NCc3ccc5c(n3)NC(=O)CO5)C4)c2n1
InChIInChI=1S/C25H23N7O4/c1-35-22-7-5-18-25(31-22)32(23(34)12-28-18)17-8-14-2-3-15(9-19(14)27-11-17)26-10-16-4-6-20-24(29-16)30-21(33)13-36-20/h4-8,11-12,15,26H,2-3,9-10,13H2,1H3,(H,29,30,33)
InChIKeyOUPZKYSPOJYNPP-UHFFFAOYSA-N
XLogP1.56
TPSA133.15 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.50
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-[[[3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-5,6,7,8-tetrahydroquinolin-7-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[[3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-5,6,7,8-tetrahydroquinolin-7-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 6-[[[3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-5,6,7,8-tetrahydroquinolin-7-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 25022397) is 6-[[[3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-5,6,7,8-tetrahydroquinolin-7-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-[[[3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-5,6,7,8-tetrahydroquinolin-7-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-[[[3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-5,6,7,8-tetrahydroquinolin-7-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is COc1ccc2ncc(=O)n(-c3cnc4c(c3)CCC(NCc3ccc5c(n3)NC(=O)CO5)C4)c2n1.
What is the InChIKey of 6-[[[3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-5,6,7,8-tetrahydroquinolin-7-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is OUPZKYSPOJYNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O4/c1-35-22-7-5-18-25(31-22)32(23(34)12-28-18)17-8-14-2-3-15(9-19(14)27-11-17)26-10-16-4-6-20-24(29-16)30-21(33)13-36-20/h4-8,11-12,15,26H,2-3,9-10,13H2,1H3,(H,29,30,33).
What are the key properties of 6-[[[3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-5,6,7,8-tetrahydroquinolin-7-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
6-[[[3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-5,6,7,8-tetrahydroquinolin-7-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 485.50 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-5,6,7,8-tetrahydroquinolin-7-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 25022397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).