6-[[[1-[2-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C24H28N6O4 — CID 71089192

IUPAC6-[[[1-[2-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCOc1ccc2ccc(=O)n(CCN3CCC(NCc4ccc5c(n4)NC(=O)CO5)CC3)c2n1
InChIInChI=1S/C24H28N6O4/c1-33-21-6-2-16-3-7-22(32)30(24(16)28-21)13-12-29-10-8-17(9-11-29)25-14-18-4-5-19-23(26-18)27-20(31)15-34-19/h2-7,17,25H,8-15H2,1H3,(H,26,27,31)
InChIKeyNBGOQUKSSZOVOU-UHFFFAOYSA-N
MW464.53 g/mol
LogP1.39
Rot. Bonds7

About 6-[[[1-[2-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-[[[1-[2-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 71089192) has the molecular formula C24H28N6O4 and a molecular weight of 464.53 g/mol. Its IUPAC name is 6-[[[1-[2-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-[[[1-[2-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID71089192
Molecular FormulaC24H28N6O4
Molecular Weight464.53 g/mol
Exact Mass464.22
IUPAC Name6-[[[1-[2-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCOc1ccc2ccc(=O)n(CCN3CCC(NCc4ccc5c(n4)NC(=O)CO5)CC3)c2n1
InChIInChI=1S/C24H28N6O4/c1-33-21-6-2-16-3-7-22(32)30(24(16)28-21)13-12-29-10-8-17(9-11-29)25-14-18-4-5-19-23(26-18)27-20(31)15-34-19/h2-7,17,25H,8-15H2,1H3,(H,26,27,31)
InChIKeyNBGOQUKSSZOVOU-UHFFFAOYSA-N
XLogP1.39
TPSA110.61 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-[[[1-[2-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)ethyl]piperidin-4-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-[[[1-[2-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 6-[[[1-[2-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 71089192) is 6-[[[1-[2-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-[[[1-[2-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-[[[1-[2-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is COc1ccc2ccc(=O)n(CCN3CCC(NCc4ccc5c(n4)NC(=O)CO5)CC3)c2n1.
What is the InChIKey of 6-[[[1-[2-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is NBGOQUKSSZOVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O4/c1-33-21-6-2-16-3-7-22(32)30(24(16)28-21)13-12-29-10-8-17(9-11-29)25-14-18-4-5-19-23(26-18)27-20(31)15-34-19/h2-7,17,25H,8-15H2,1H3,(H,26,27,31).
What are the key properties of 6-[[[1-[2-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
6-[[[1-[2-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 464.53 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[1-[2-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 71089192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).