sodium;hydride;2-[[4-[4-[(2S)-3-hydroxy-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]phenoxy]quinoline-8-carbonyl]amino]acetic acid

C30H32N3NaO7 — CID 173270847

About sodium;hydride;2-[[4-[4-[(2S)-3-hydroxy-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]phenoxy]quinoline-8-carbonyl]amino]acetic acid

sodium;hydride;2-[[4-[4-[(2S)-3-hydroxy-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]phenoxy]quinoline-8-carbonyl]amino]acetic acid (PubChem CID 173270847) has the molecular formula C30H32N3NaO7 and a molecular weight of 569.59 g/mol. Its IUPAC name is sodium;hydride;2-[[4-[4-[(2S)-3-hydroxy-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]phenoxy]quinoline-8-carbonyl]amino]acetic acid.

Molecular Properties

• Compound Name: sodium;hydride;2-[[4-[4-[(2S)-3-hydroxy-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]phenoxy]quinoline-8-carbonyl]amino]acetic acid
• PubChem CID: 173270847
• Molecular Formula: C30H32N3NaO7
• Molecular Weight: 569.59 g/mol
• Exact Mass: 569.21
• IUPAC Name: sodium;hydride;2-[[4-[4-[(2S)-3-hydroxy-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]phenoxy]quinoline-8-carbonyl]amino]acetic acid
• SMILES: O=C(O)CNC(=O)c1cccc2c(Oc3ccc(C[C@@H](CO)NC[C@H](O)COc4ccccc4)cc3)ccnc12.[H-].[Na+]
• InChI: InChI=1S/C30H31N3O7.Na.H/c34-18-21(32-16-22(35)19-39-23-5-2-1-3-6-23)15-20-9-11-24(12-10-20)40-27-13-14-31-29-25(27)7-4-8-26(29)30(38)33-17-28(36)37;;/h1-14,21-22,32,34-35H,15-19H2,(H,33,38)(H,36,37);;/q;+1;-1/t21-,22-;;/m0../s1
• InChIKey: LZATZEJGJYGKMN-IXOXMDGESA-N
• XLogP: -0.11
• TPSA: 150.24 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	569.59
LogP ≤ 5	-0.11
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2-[[4-[4-[(2S)-3-hydroxy-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]phenoxy]quinoline-8-carbonyl]amino]acetic acid?

The IUPAC name of sodium;hydride;2-[[4-[4-[(2S)-3-hydroxy-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]phenoxy]quinoline-8-carbonyl]amino]acetic acid (CID 173270847) is sodium;hydride;2-[[4-[4-[(2S)-3-hydroxy-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]phenoxy]quinoline-8-carbonyl]amino]acetic acid.

What is the SMILES notation for sodium;hydride;2-[[4-[4-[(2S)-3-hydroxy-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]phenoxy]quinoline-8-carbonyl]amino]acetic acid?

The canonical SMILES for sodium;hydride;2-[[4-[4-[(2S)-3-hydroxy-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]phenoxy]quinoline-8-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1cccc2c(Oc3ccc(C[C@@H](CO)NC[C@H](O)COc4ccccc4)cc3)ccnc12.[H-].[Na+].

What is the InChIKey of sodium;hydride;2-[[4-[4-[(2S)-3-hydroxy-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]phenoxy]quinoline-8-carbonyl]amino]acetic acid?

The InChIKey is LZATZEJGJYGKMN-IXOXMDGESA-N. The full InChI is InChI=1S/C30H31N3O7.Na.H/c34-18-21(32-16-22(35)19-39-23-5-2-1-3-6-23)15-20-9-11-24(12-10-20)40-27-13-14-31-29-25(27)7-4-8-26(29)30(38)33-17-28(36)37;;/h1-14,21-22,32,34-35H,15-19H2,(H,33,38)(H,36,37);;/q;+1;-1/t21-,22-;;/m0../s1.

What are the key properties of sodium;hydride;2-[[4-[4-[(2S)-3-hydroxy-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]phenoxy]quinoline-8-carbonyl]amino]acetic acid?

sodium;hydride;2-[[4-[4-[(2S)-3-hydroxy-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]phenoxy]quinoline-8-carbonyl]amino]acetic acid has a molecular weight of 569.59 g/mol, XLogP of -0.11, 14 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;hydride;2-[[4-[4-[(2S)-3-hydroxy-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]phenoxy]quinoline-8-carbonyl]amino]acetic acid is sourced from PubChem (CID 173270847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).