sodium;5-[1'-(8-cyclopropyl-4-methoxyquinoline-2-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]pyridine-3-carboxylic acid;hydride

C33H30N3NaO6 — CID 173050676

About sodium;5-[1'-(8-cyclopropyl-4-methoxyquinoline-2-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]pyridine-3-carboxylic acid;hydride

sodium;5-[1'-(8-cyclopropyl-4-methoxyquinoline-2-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]pyridine-3-carboxylic acid;hydride (PubChem CID 173050676) has the molecular formula C33H30N3NaO6 and a molecular weight of 587.61 g/mol. Its IUPAC name is sodium;5-[1'-(8-cyclopropyl-4-methoxyquinoline-2-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]pyridine-3-carboxylic acid;hydride.

Molecular Properties

• Compound Name: sodium;5-[1'-(8-cyclopropyl-4-methoxyquinoline-2-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]pyridine-3-carboxylic acid;hydride
• PubChem CID: 173050676
• Molecular Formula: C33H30N3NaO6
• Molecular Weight: 587.61 g/mol
• Exact Mass: 587.20
• IUPAC Name: sodium;5-[1'-(8-cyclopropyl-4-methoxyquinoline-2-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]pyridine-3-carboxylic acid;hydride
• SMILES: COc1cc(C(=O)N2CCC3(CC2)CC(=O)c2cc(-c4cncc(C(=O)O)c4)ccc2O3)nc2c(C3CC3)cccc12.[H-].[Na+]
• InChI: InChI=1S/C33H29N3O6.Na.H/c1-41-29-15-26(35-30-23(19-5-6-19)3-2-4-24(29)30)31(38)36-11-9-33(10-12-36)16-27(37)25-14-20(7-8-28(25)42-33)21-13-22(32(39)40)18-34-17-21;;/h2-4,7-8,13-15,17-19H,5-6,9-12,16H2,1H3,(H,39,40);;/q;+1;-1
• InChIKey: NBXJKKDMLUBRKI-UHFFFAOYSA-N
• XLogP: 2.64
• TPSA: 118.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	587.61
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of sodium;5-[1'-(8-cyclopropyl-4-methoxyquinoline-2-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]pyridine-3-carboxylic acid;hydride?

The IUPAC name of sodium;5-[1'-(8-cyclopropyl-4-methoxyquinoline-2-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]pyridine-3-carboxylic acid;hydride (CID 173050676) is sodium;5-[1'-(8-cyclopropyl-4-methoxyquinoline-2-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]pyridine-3-carboxylic acid;hydride.

What is the SMILES notation for sodium;5-[1'-(8-cyclopropyl-4-methoxyquinoline-2-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]pyridine-3-carboxylic acid;hydride?

The canonical SMILES for sodium;5-[1'-(8-cyclopropyl-4-methoxyquinoline-2-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]pyridine-3-carboxylic acid;hydride is COc1cc(C(=O)N2CCC3(CC2)CC(=O)c2cc(-c4cncc(C(=O)O)c4)ccc2O3)nc2c(C3CC3)cccc12.[H-].[Na+].

What is the InChIKey of sodium;5-[1'-(8-cyclopropyl-4-methoxyquinoline-2-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]pyridine-3-carboxylic acid;hydride?

The InChIKey is NBXJKKDMLUBRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29N3O6.Na.H/c1-41-29-15-26(35-30-23(19-5-6-19)3-2-4-24(29)30)31(38)36-11-9-33(10-12-36)16-27(37)25-14-20(7-8-28(25)42-33)21-13-22(32(39)40)18-34-17-21;;/h2-4,7-8,13-15,17-19H,5-6,9-12,16H2,1H3,(H,39,40);;/q;+1;-1.

What are the key properties of sodium;5-[1'-(8-cyclopropyl-4-methoxyquinoline-2-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]pyridine-3-carboxylic acid;hydride?

sodium;5-[1'-(8-cyclopropyl-4-methoxyquinoline-2-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]pyridine-3-carboxylic acid;hydride has a molecular weight of 587.61 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;5-[1'-(8-cyclopropyl-4-methoxyquinoline-2-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]pyridine-3-carboxylic acid;hydride is sourced from PubChem (CID 173050676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).