6-[[[1-[2-(3-fluoro-6-methoxyquinolin-4-yl)-2-hydroxyethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride

C25H29ClFN5O4 — CID 44528949

About 6-[[[1-[2-(3-fluoro-6-methoxyquinolin-4-yl)-2-hydroxyethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride

6-[[[1-[2-(3-fluoro-6-methoxyquinolin-4-yl)-2-hydroxyethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride (PubChem CID 44528949) has the molecular formula C25H29ClFN5O4 and a molecular weight of 517.99 g/mol. Its IUPAC name is 6-[[[1-[2-(3-fluoro-6-methoxyquinolin-4-yl)-2-hydroxyethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride.

Molecular Properties

• Compound Name: 6-[[[1-[2-(3-fluoro-6-methoxyquinolin-4-yl)-2-hydroxyethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride
• PubChem CID: 44528949
• Molecular Formula: C25H29ClFN5O4
• Molecular Weight: 517.99 g/mol
• Exact Mass: 517.19
• IUPAC Name: 6-[[[1-[2-(3-fluoro-6-methoxyquinolin-4-yl)-2-hydroxyethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride
• SMILES: COc1ccc2ncc(F)c(C(O)CN3CCC(NCc4ccc5c(n4)NC(=O)CO5)CC3)c2c1.Cl
• InChI: InChI=1S/C25H28FN5O4.ClH/c1-34-17-3-4-20-18(10-17)24(19(26)12-28-20)21(32)13-31-8-6-15(7-9-31)27-11-16-2-5-22-25(29-16)30-23(33)14-35-22;/h2-5,10,12,15,21,27,32H,6-9,11,13-14H2,1H3,(H,29,30,33);1H
• InChIKey: HVLLSRHOQHURDJ-UHFFFAOYSA-N
• XLogP: 2.82
• TPSA: 108.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.99
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[[[1-[2-(3-fluoro-6-methoxyquinolin-4-yl)-2-hydroxyethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride?

The IUPAC name of 6-[[[1-[2-(3-fluoro-6-methoxyquinolin-4-yl)-2-hydroxyethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride (CID 44528949) is 6-[[[1-[2-(3-fluoro-6-methoxyquinolin-4-yl)-2-hydroxyethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride.

What is the SMILES notation for 6-[[[1-[2-(3-fluoro-6-methoxyquinolin-4-yl)-2-hydroxyethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride?

The canonical SMILES for 6-[[[1-[2-(3-fluoro-6-methoxyquinolin-4-yl)-2-hydroxyethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride is COc1ccc2ncc(F)c(C(O)CN3CCC(NCc4ccc5c(n4)NC(=O)CO5)CC3)c2c1.Cl.

What is the InChIKey of 6-[[[1-[2-(3-fluoro-6-methoxyquinolin-4-yl)-2-hydroxyethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride?

The InChIKey is HVLLSRHOQHURDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O4.ClH/c1-34-17-3-4-20-18(10-17)24(19(26)12-28-20)21(32)13-31-8-6-15(7-9-31)27-11-16-2-5-22-25(29-16)30-23(33)14-35-22;/h2-5,10,12,15,21,27,32H,6-9,11,13-14H2,1H3,(H,29,30,33);1H.

What are the key properties of 6-[[[1-[2-(3-fluoro-6-methoxyquinolin-4-yl)-2-hydroxyethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride?

6-[[[1-[2-(3-fluoro-6-methoxyquinolin-4-yl)-2-hydroxyethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride has a molecular weight of 517.99 g/mol, XLogP of 2.82, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[[1-[2-(3-fluoro-6-methoxyquinolin-4-yl)-2-hydroxyethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride is sourced from PubChem (CID 44528949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).