6-[[2-[4-hydroxy-1-(6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C24H28N6O4 — CID 11442648

IUPAC6-[[2-[4-hydroxy-1-(6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCOc1ccc2nccc(N3CCC(O)(CCNCc4ccc5c(n4)NC(=O)CO5)CC3)c2n1
InChIInChI=1S/C24H28N6O4/c1-33-21-5-3-17-22(29-21)18(6-10-26-17)30-12-8-24(32,9-13-30)7-11-25-14-16-2-4-19-23(27-16)28-20(31)15-34-19/h2-6,10,25,32H,7-9,11-15H2,1H3,(H,27,28,31)
InChIKeyXBJYKQMTABQNGL-UHFFFAOYSA-N
MW464.53 g/mol
LogP1.88
Rot. Bonds7

About 6-[[2-[4-hydroxy-1-(6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-[[2-[4-hydroxy-1-(6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 11442648) has the molecular formula C24H28N6O4 and a molecular weight of 464.53 g/mol. Its IUPAC name is 6-[[2-[4-hydroxy-1-(6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-[[2-[4-hydroxy-1-(6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID11442648
Molecular FormulaC24H28N6O4
Molecular Weight464.53 g/mol
Exact Mass464.22
IUPAC Name6-[[2-[4-hydroxy-1-(6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCOc1ccc2nccc(N3CCC(O)(CCNCc4ccc5c(n4)NC(=O)CO5)CC3)c2n1
InChIInChI=1S/C24H28N6O4/c1-33-21-5-3-17-22(29-21)18(6-10-26-17)30-12-8-24(32,9-13-30)7-11-25-14-16-2-4-19-23(27-16)28-20(31)15-34-19/h2-6,10,25,32H,7-9,11-15H2,1H3,(H,27,28,31)
InChIKeyXBJYKQMTABQNGL-UHFFFAOYSA-N
XLogP1.88
TPSA121.73 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[[2-[4-hydroxy-1-(6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]ethylamino]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-[[2-[4-hydroxy-1-(6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 6-[[2-[4-hydroxy-1-(6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 11442648) is 6-[[2-[4-hydroxy-1-(6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-[[2-[4-hydroxy-1-(6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-[[2-[4-hydroxy-1-(6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is COc1ccc2nccc(N3CCC(O)(CCNCc4ccc5c(n4)NC(=O)CO5)CC3)c2n1.
What is the InChIKey of 6-[[2-[4-hydroxy-1-(6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is XBJYKQMTABQNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O4/c1-33-21-5-3-17-22(29-21)18(6-10-26-17)30-12-8-24(32,9-13-30)7-11-25-14-16-2-4-19-23(27-16)28-20(31)15-34-19/h2-6,10,25,32H,7-9,11-15H2,1H3,(H,27,28,31).
What are the key properties of 6-[[2-[4-hydroxy-1-(6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
6-[[2-[4-hydroxy-1-(6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 464.53 g/mol, XLogP of 1.88, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[4-hydroxy-1-(6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 11442648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).