3-[2-[7-[[(2R)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-6-oxopiperazin-2-yl]methoxy]-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1,3-oxazolidin-2-one

C36H44N4O7 — CID 23644726

About 3-[2-[7-[[(2R)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-6-oxopiperazin-2-yl]methoxy]-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1,3-oxazolidin-2-one

3-[2-[7-[[(2R)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-6-oxopiperazin-2-yl]methoxy]-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1,3-oxazolidin-2-one (PubChem CID 23644726) has the molecular formula C36H44N4O7 and a molecular weight of 644.77 g/mol. Its IUPAC name is 3-[2-[7-[[(2R)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-6-oxopiperazin-2-yl]methoxy]-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 3-[2-[7-[[(2R)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-6-oxopiperazin-2-yl]methoxy]-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1,3-oxazolidin-2-one
• PubChem CID: 23644726
• Molecular Formula: C36H44N4O7
• Molecular Weight: 644.77 g/mol
• Exact Mass: 644.32
• IUPAC Name: 3-[2-[7-[[(2R)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-6-oxopiperazin-2-yl]methoxy]-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1,3-oxazolidin-2-one
• SMILES: COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COc2ccc3c(c2)N(CCN2CCOC2=O)CCC3)cc1
• InChI: InChI=1S/C36H44N4O7/c1-43-34-8-3-2-6-28(34)25-44-19-5-20-45-31-13-10-29(11-14-31)40-30(23-37-24-35(40)41)26-47-32-12-9-27-7-4-15-38(33(27)22-32)16-17-39-18-21-46-36(39)42/h2-3,6,8-14,22,30,37H,4-5,7,15-21,23-26H2,1H3/t30-/m1/s1
• InChIKey: FBIQASFAEYMVBJ-SSEXGKCCSA-N
• XLogP: 4.27
• TPSA: 102.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 15
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	644.77
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[2-[7-[[(2R)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-6-oxopiperazin-2-yl]methoxy]-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1,3-oxazolidin-2-one?

The IUPAC name of 3-[2-[7-[[(2R)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-6-oxopiperazin-2-yl]methoxy]-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1,3-oxazolidin-2-one (CID 23644726) is 3-[2-[7-[[(2R)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-6-oxopiperazin-2-yl]methoxy]-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for 3-[2-[7-[[(2R)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-6-oxopiperazin-2-yl]methoxy]-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1,3-oxazolidin-2-one?

The canonical SMILES for 3-[2-[7-[[(2R)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-6-oxopiperazin-2-yl]methoxy]-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1,3-oxazolidin-2-one is COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COc2ccc3c(c2)N(CCN2CCOC2=O)CCC3)cc1.

What is the InChIKey of 3-[2-[7-[[(2R)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-6-oxopiperazin-2-yl]methoxy]-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1,3-oxazolidin-2-one?

The InChIKey is FBIQASFAEYMVBJ-SSEXGKCCSA-N. The full InChI is InChI=1S/C36H44N4O7/c1-43-34-8-3-2-6-28(34)25-44-19-5-20-45-31-13-10-29(11-14-31)40-30(23-37-24-35(40)41)26-47-32-12-9-27-7-4-15-38(33(27)22-32)16-17-39-18-21-46-36(39)42/h2-3,6,8-14,22,30,37H,4-5,7,15-21,23-26H2,1H3/t30-/m1/s1.

What are the key properties of 3-[2-[7-[[(2R)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-6-oxopiperazin-2-yl]methoxy]-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1,3-oxazolidin-2-one?

3-[2-[7-[[(2R)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-6-oxopiperazin-2-yl]methoxy]-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 644.77 g/mol, XLogP of 4.27, 15 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[7-[[(2R)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-6-oxopiperazin-2-yl]methoxy]-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 23644726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).