6-tert-butyl-2-cyclopropyl-11-hydroxy-3-(3-methoxypropoxy)-10-oxo-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid

C24H30N2O6 — CID 155045543

About 6-tert-butyl-2-cyclopropyl-11-hydroxy-3-(3-methoxypropoxy)-10-oxo-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid

6-tert-butyl-2-cyclopropyl-11-hydroxy-3-(3-methoxypropoxy)-10-oxo-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid (PubChem CID 155045543) has the molecular formula C24H30N2O6 and a molecular weight of 442.51 g/mol. Its IUPAC name is 6-tert-butyl-2-cyclopropyl-11-hydroxy-3-(3-methoxypropoxy)-10-oxo-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid.

Molecular Properties

• Compound Name: 6-tert-butyl-2-cyclopropyl-11-hydroxy-3-(3-methoxypropoxy)-10-oxo-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid
• PubChem CID: 155045543
• Molecular Formula: C24H30N2O6
• Molecular Weight: 442.51 g/mol
• Exact Mass: 442.21
• IUPAC Name: 6-tert-butyl-2-cyclopropyl-11-hydroxy-3-(3-methoxypropoxy)-10-oxo-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid
• SMILES: COCCCOc1cc2c(nc1C1CC1)-c1c(O)c(=O)c(C(=O)O)cn1C(C(C)(C)C)C2
• InChI: InChI=1S/C24H30N2O6/c1-24(2,3)17-11-14-10-16(32-9-5-8-31-4)18(13-6-7-13)25-19(14)20-22(28)21(27)15(23(29)30)12-26(17)20/h10,12-13,17,28H,5-9,11H2,1-4H3,(H,29,30)
• InChIKey: UUCAYEMTRZHJRR-UHFFFAOYSA-N
• XLogP: 3.75
• TPSA: 110.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.51
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-cyclopropyl-11-hydroxy-3-(3-methoxypropoxy)-10-oxo-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid?

The IUPAC name of 6-tert-butyl-2-cyclopropyl-11-hydroxy-3-(3-methoxypropoxy)-10-oxo-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid (CID 155045543) is 6-tert-butyl-2-cyclopropyl-11-hydroxy-3-(3-methoxypropoxy)-10-oxo-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid.

What is the SMILES notation for 6-tert-butyl-2-cyclopropyl-11-hydroxy-3-(3-methoxypropoxy)-10-oxo-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid?

The canonical SMILES for 6-tert-butyl-2-cyclopropyl-11-hydroxy-3-(3-methoxypropoxy)-10-oxo-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid is COCCCOc1cc2c(nc1C1CC1)-c1c(O)c(=O)c(C(=O)O)cn1C(C(C)(C)C)C2.

What is the InChIKey of 6-tert-butyl-2-cyclopropyl-11-hydroxy-3-(3-methoxypropoxy)-10-oxo-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid?

The InChIKey is UUCAYEMTRZHJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O6/c1-24(2,3)17-11-14-10-16(32-9-5-8-31-4)18(13-6-7-13)25-19(14)20-22(28)21(27)15(23(29)30)12-26(17)20/h10,12-13,17,28H,5-9,11H2,1-4H3,(H,29,30).

What are the key properties of 6-tert-butyl-2-cyclopropyl-11-hydroxy-3-(3-methoxypropoxy)-10-oxo-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid?

6-tert-butyl-2-cyclopropyl-11-hydroxy-3-(3-methoxypropoxy)-10-oxo-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid has a molecular weight of 442.51 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-2-cyclopropyl-11-hydroxy-3-(3-methoxypropoxy)-10-oxo-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid is sourced from PubChem (CID 155045543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).