3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-N-methylpropanamide;tert-butyl formate;1-cyclopropyl-6-fluoro-3-[[(2-methyl-4-pyridinyl)methylamino]methyl]-7-pyrrolidin-1-ylquinolin-4-one;2-methyl-5-piperidin-1-ylpyridine

C50H75FN8O7 — CID 156752719

About 3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-N-methylpropanamide;tert-butyl formate;1-cyclopropyl-6-fluoro-3-[[(2-methyl-4-pyridinyl)methylamino]methyl]-7-pyrrolidin-1-ylquinolin-4-one;2-methyl-5-piperidin-1-ylpyridine

3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-N-methylpropanamide;tert-butyl formate;1-cyclopropyl-6-fluoro-3-[[(2-methyl-4-pyridinyl)methylamino]methyl]-7-pyrrolidin-1-ylquinolin-4-one;2-methyl-5-piperidin-1-ylpyridine (PubChem CID 156752719) has the molecular formula C50H75FN8O7 and a molecular weight of 919.20 g/mol. Its IUPAC name is 3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-N-methylpropanamide;tert-butyl formate;1-cyclopropyl-6-fluoro-3-[[(2-methyl-4-pyridinyl)methylamino]methyl]-7-pyrrolidin-1-ylquinolin-4-one;2-methyl-5-piperidin-1-ylpyridine.

Molecular Properties

• Compound Name: 3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-N-methylpropanamide;tert-butyl formate;1-cyclopropyl-6-fluoro-3-[[(2-methyl-4-pyridinyl)methylamino]methyl]-7-pyrrolidin-1-ylquinolin-4-one;2-methyl-5-piperidin-1-ylpyridine
• PubChem CID: 156752719
• Molecular Formula: C50H75FN8O7
• Molecular Weight: 919.20 g/mol
• Exact Mass: 918.57
• IUPAC Name: 3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-N-methylpropanamide;tert-butyl formate;1-cyclopropyl-6-fluoro-3-[[(2-methyl-4-pyridinyl)methylamino]methyl]-7-pyrrolidin-1-ylquinolin-4-one;2-methyl-5-piperidin-1-ylpyridine
• SMILES: CC(C)(C)OC=O.CNC(=O)CCOCCOCCOCCN.Cc1cc(CNCc2cn(C3CC3)c3cc(N4CCCC4)c(F)cc3c2=O)ccn1.Cc1ccc(N2CCCCC2)cn1
• InChI: InChI=1S/C24H27FN4O.C11H16N2.C10H22N2O4.C5H10O2/c1-16-10-17(6-7-27-16)13-26-14-18-15-29(19-4-5-19)22-12-23(28-8-2-3-9-28)21(25)11-20(22)24(18)30;1-10-5-6-11(9-12-10)13-7-3-2-4-8-13;1-12-10(13)2-4-14-6-8-16-9-7-15-5-3-11;1-5(2,3)7-4-6/h6-7,10-12,15,19,26H,2-5,8-9,13-14H2,1H3;5-6,9H,2-4,7-8H2,1H3;2-9,11H2,1H3,(H,12,13);4H,1-3H3
• InChIKey: BHSLPAQYXZLVFG-UHFFFAOYSA-N
• XLogP: 6.54
• TPSA: 175.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 19
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	919.20
LogP ≤ 5	6.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-N-methylpropanamide;tert-butyl formate;1-cyclopropyl-6-fluoro-3-[[(2-methyl-4-pyridinyl)methylamino]methyl]-7-pyrrolidin-1-ylquinolin-4-one;2-methyl-5-piperidin-1-ylpyridine?

The IUPAC name of 3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-N-methylpropanamide;tert-butyl formate;1-cyclopropyl-6-fluoro-3-[[(2-methyl-4-pyridinyl)methylamino]methyl]-7-pyrrolidin-1-ylquinolin-4-one;2-methyl-5-piperidin-1-ylpyridine (CID 156752719) is 3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-N-methylpropanamide;tert-butyl formate;1-cyclopropyl-6-fluoro-3-[[(2-methyl-4-pyridinyl)methylamino]methyl]-7-pyrrolidin-1-ylquinolin-4-one;2-methyl-5-piperidin-1-ylpyridine.

What is the SMILES notation for 3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-N-methylpropanamide;tert-butyl formate;1-cyclopropyl-6-fluoro-3-[[(2-methyl-4-pyridinyl)methylamino]methyl]-7-pyrrolidin-1-ylquinolin-4-one;2-methyl-5-piperidin-1-ylpyridine?

The canonical SMILES for 3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-N-methylpropanamide;tert-butyl formate;1-cyclopropyl-6-fluoro-3-[[(2-methyl-4-pyridinyl)methylamino]methyl]-7-pyrrolidin-1-ylquinolin-4-one;2-methyl-5-piperidin-1-ylpyridine is CC(C)(C)OC=O.CNC(=O)CCOCCOCCOCCN.Cc1cc(CNCc2cn(C3CC3)c3cc(N4CCCC4)c(F)cc3c2=O)ccn1.Cc1ccc(N2CCCCC2)cn1.

What is the InChIKey of 3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-N-methylpropanamide;tert-butyl formate;1-cyclopropyl-6-fluoro-3-[[(2-methyl-4-pyridinyl)methylamino]methyl]-7-pyrrolidin-1-ylquinolin-4-one;2-methyl-5-piperidin-1-ylpyridine?

The InChIKey is BHSLPAQYXZLVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O.C11H16N2.C10H22N2O4.C5H10O2/c1-16-10-17(6-7-27-16)13-26-14-18-15-29(19-4-5-19)22-12-23(28-8-2-3-9-28)21(25)11-20(22)24(18)30;1-10-5-6-11(9-12-10)13-7-3-2-4-8-13;1-12-10(13)2-4-14-6-8-16-9-7-15-5-3-11;1-5(2,3)7-4-6/h6-7,10-12,15,19,26H,2-5,8-9,13-14H2,1H3;5-6,9H,2-4,7-8H2,1H3;2-9,11H2,1H3,(H,12,13);4H,1-3H3.

What are the key properties of 3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-N-methylpropanamide;tert-butyl formate;1-cyclopropyl-6-fluoro-3-[[(2-methyl-4-pyridinyl)methylamino]methyl]-7-pyrrolidin-1-ylquinolin-4-one;2-methyl-5-piperidin-1-ylpyridine?

3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-N-methylpropanamide;tert-butyl formate;1-cyclopropyl-6-fluoro-3-[[(2-methyl-4-pyridinyl)methylamino]methyl]-7-pyrrolidin-1-ylquinolin-4-one;2-methyl-5-piperidin-1-ylpyridine has a molecular weight of 919.20 g/mol, XLogP of 6.54, 19 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-N-methylpropanamide;tert-butyl formate;1-cyclopropyl-6-fluoro-3-[[(2-methyl-4-pyridinyl)methylamino]methyl]-7-pyrrolidin-1-ylquinolin-4-one;2-methyl-5-piperidin-1-ylpyridine is sourced from PubChem (CID 156752719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).