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

C24H26ClFN6O4 — CID 143159651

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

7-chloro-6-[[[(4S)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 143159651) has the molecular formula C24H26ClFN6O4 and a molecular weight of 516.96 g/mol. Its IUPAC name is 7-chloro-6-[[[(4S)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

• Compound Name: 7-chloro-6-[[[(4S)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
• PubChem CID: 143159651
• Molecular Formula: C24H26ClFN6O4
• Molecular Weight: 516.96 g/mol
• Exact Mass: 516.17
• IUPAC Name: 7-chloro-6-[[[(4S)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
• SMILES: COc1ccc2ncc(F)c(CCN3CC(CNCc4nc5c(cc4Cl)OCC(=O)N5)[C@H](O)C3)c2n1
• InChI: InChI=1S/C24H26ClFN6O4/c1-35-22-3-2-17-23(31-22)14(16(26)8-28-17)4-5-32-10-13(19(33)11-32)7-27-9-18-15(25)6-20-24(29-18)30-21(34)12-36-20/h2-3,6,8,13,19,27,33H,4-5,7,9-12H2,1H3,(H,29,30,34)/t13?,19-/m1/s1
• InChIKey: GOHOWUAAORPINE-GAGCMDECSA-N
• XLogP: 1.78
• TPSA: 121.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.96
LogP ≤ 5	1.78
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-[[[(4S)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?

The IUPAC name of 7-chloro-6-[[[(4S)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 143159651) is 7-chloro-6-[[[(4S)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

What is the SMILES notation for 7-chloro-6-[[[(4S)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?

The canonical SMILES for 7-chloro-6-[[[(4S)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is COc1ccc2ncc(F)c(CCN3CC(CNCc4nc5c(cc4Cl)OCC(=O)N5)[C@H](O)C3)c2n1.

What is the InChIKey of 7-chloro-6-[[[(4S)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?

The InChIKey is GOHOWUAAORPINE-GAGCMDECSA-N. The full InChI is InChI=1S/C24H26ClFN6O4/c1-35-22-3-2-17-23(31-22)14(16(26)8-28-17)4-5-32-10-13(19(33)11-32)7-27-9-18-15(25)6-20-24(29-18)30-21(34)12-36-20/h2-3,6,8,13,19,27,33H,4-5,7,9-12H2,1H3,(H,29,30,34)/t13?,19-/m1/s1.

What are the key properties of 7-chloro-6-[[[(4S)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?

7-chloro-6-[[[(4S)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 516.96 g/mol, XLogP of 1.78, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-6-[[[(4S)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 143159651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).