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

C25H23N5O3 — CID 10433417

IUPAC6-[[2-[4-(6-methoxy-1,5-naphthyridin-4-yl)phenyl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCOc1ccc2nccc(-c3ccc(CCNCc4ccc5c(n4)NC(=O)CO5)cc3)c2n1
InChIInChI=1S/C25H23N5O3/c1-32-23-9-7-20-24(30-23)19(11-13-27-20)17-4-2-16(3-5-17)10-12-26-14-18-6-8-21-25(28-18)29-22(31)15-33-21/h2-9,11,13,26H,10,12,14-15H2,1H3,(H,28,29,31)
InChIKeyVSHISEMBWAZGSV-UHFFFAOYSA-N
MW441.49 g/mol
LogP3.36
Rot. Bonds7

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

6-[[2-[4-(6-methoxy-1,5-naphthyridin-4-yl)phenyl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 10433417) has the molecular formula C25H23N5O3 and a molecular weight of 441.49 g/mol. Its IUPAC name is 6-[[2-[4-(6-methoxy-1,5-naphthyridin-4-yl)phenyl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-[[2-[4-(6-methoxy-1,5-naphthyridin-4-yl)phenyl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID10433417
Molecular FormulaC25H23N5O3
Molecular Weight441.49 g/mol
Exact Mass441.18
IUPAC Name6-[[2-[4-(6-methoxy-1,5-naphthyridin-4-yl)phenyl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCOc1ccc2nccc(-c3ccc(CCNCc4ccc5c(n4)NC(=O)CO5)cc3)c2n1
InChIInChI=1S/C25H23N5O3/c1-32-23-9-7-20-24(30-23)19(11-13-27-20)17-4-2-16(3-5-17)10-12-26-14-18-6-8-21-25(28-18)29-22(31)15-33-21/h2-9,11,13,26H,10,12,14-15H2,1H3,(H,28,29,31)
InChIKeyVSHISEMBWAZGSV-UHFFFAOYSA-N
XLogP3.36
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-[4-(6-methoxy-1,5-naphthyridin-4-yl)phenyl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 6-[[2-[4-(6-methoxy-1,5-naphthyridin-4-yl)phenyl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 10433417) is 6-[[2-[4-(6-methoxy-1,5-naphthyridin-4-yl)phenyl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-[[2-[4-(6-methoxy-1,5-naphthyridin-4-yl)phenyl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-[[2-[4-(6-methoxy-1,5-naphthyridin-4-yl)phenyl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is COc1ccc2nccc(-c3ccc(CCNCc4ccc5c(n4)NC(=O)CO5)cc3)c2n1.
What is the InChIKey of 6-[[2-[4-(6-methoxy-1,5-naphthyridin-4-yl)phenyl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is VSHISEMBWAZGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3/c1-32-23-9-7-20-24(30-23)19(11-13-27-20)17-4-2-16(3-5-17)10-12-26-14-18-6-8-21-25(28-18)29-22(31)15-33-21/h2-9,11,13,26H,10,12,14-15H2,1H3,(H,28,29,31).
What are the key properties of 6-[[2-[4-(6-methoxy-1,5-naphthyridin-4-yl)phenyl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
6-[[2-[4-(6-methoxy-1,5-naphthyridin-4-yl)phenyl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 441.49 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[4-(6-methoxy-1,5-naphthyridin-4-yl)phenyl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 10433417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).