7-chloro-6-[[[(2S)-4-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C24H26ClFN6O4 — CID 11511904

IUPAC7-chloro-6-[[[(2S)-4-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCOc1ccc2ncc(F)c(CCN3CCO[C@@H](CNCc4nc5c(cc4Cl)OCC(=O)N5)C3)c2n1
InChIInChI=1S/C24H26ClFN6O4/c1-34-22-3-2-18-23(31-22)15(17(26)10-28-18)4-5-32-6-7-35-14(12-32)9-27-11-19-16(25)8-20-24(29-19)30-21(33)13-36-20/h2-3,8,10,14,27H,4-7,9,11-13H2,1H3,(H,29,30,33)/t14-/m0/s1
InChIKeyINCQTOLYCXVNOH-AWEZNQCLSA-N
MW516.96 g/mol
LogP2.19
Rot. Bonds8

About 7-chloro-6-[[[(2S)-4-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

7-chloro-6-[[[(2S)-4-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 11511904) has the molecular formula C24H26ClFN6O4 and a molecular weight of 516.96 g/mol. Its IUPAC name is 7-chloro-6-[[[(2S)-4-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name7-chloro-6-[[[(2S)-4-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID11511904
Molecular FormulaC24H26ClFN6O4
Molecular Weight516.96 g/mol
Exact Mass516.17
IUPAC Name7-chloro-6-[[[(2S)-4-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCOc1ccc2ncc(F)c(CCN3CCO[C@@H](CNCc4nc5c(cc4Cl)OCC(=O)N5)C3)c2n1
InChIInChI=1S/C24H26ClFN6O4/c1-34-22-3-2-18-23(31-22)15(17(26)10-28-18)4-5-32-6-7-35-14(12-32)9-27-11-19-16(25)8-20-24(29-19)30-21(33)13-36-20/h2-3,8,10,14,27H,4-7,9,11-13H2,1H3,(H,29,30,33)/t14-/m0/s1
InChIKeyINCQTOLYCXVNOH-AWEZNQCLSA-N
XLogP2.19
TPSA110.73 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.96
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 7-chloro-6-[[[(2S)-4-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methylamino]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 7-chloro-6-[[[(2S)-4-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 7-chloro-6-[[[(2S)-4-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 11511904) is 7-chloro-6-[[[(2S)-4-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 7-chloro-6-[[[(2S)-4-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 7-chloro-6-[[[(2S)-4-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is COc1ccc2ncc(F)c(CCN3CCO[C@@H](CNCc4nc5c(cc4Cl)OCC(=O)N5)C3)c2n1.
What is the InChIKey of 7-chloro-6-[[[(2S)-4-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is INCQTOLYCXVNOH-AWEZNQCLSA-N. The full InChI is InChI=1S/C24H26ClFN6O4/c1-34-22-3-2-18-23(31-22)15(17(26)10-28-18)4-5-32-6-7-35-14(12-32)9-27-11-19-16(25)8-20-24(29-19)30-21(33)13-36-20/h2-3,8,10,14,27H,4-7,9,11-13H2,1H3,(H,29,30,33)/t14-/m0/s1.
What are the key properties of 7-chloro-6-[[[(2S)-4-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
7-chloro-6-[[[(2S)-4-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 516.96 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-[[[(2S)-4-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 11511904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).