N-[2-[7-[[(2R)-1-[4-[3-[(2-fluorophenyl)methoxy]propoxy]phenyl]-6-oxopiperazin-2-yl]methoxy]-3,4-dihydro-2H-quinolin-1-yl]ethyl]acetamide

C34H41FN4O5 — CID 11433420

About N-[2-[7-[[(2R)-1-[4-[3-[(2-fluorophenyl)methoxy]propoxy]phenyl]-6-oxopiperazin-2-yl]methoxy]-3,4-dihydro-2H-quinolin-1-yl]ethyl]acetamide

N-[2-[7-[[(2R)-1-[4-[3-[(2-fluorophenyl)methoxy]propoxy]phenyl]-6-oxopiperazin-2-yl]methoxy]-3,4-dihydro-2H-quinolin-1-yl]ethyl]acetamide (PubChem CID 11433420) has the molecular formula C34H41FN4O5 and a molecular weight of 604.72 g/mol. Its IUPAC name is N-[2-[7-[[(2R)-1-[4-[3-[(2-fluorophenyl)methoxy]propoxy]phenyl]-6-oxopiperazin-2-yl]methoxy]-3,4-dihydro-2H-quinolin-1-yl]ethyl]acetamide.

Molecular Properties

• Compound Name: N-[2-[7-[[(2R)-1-[4-[3-[(2-fluorophenyl)methoxy]propoxy]phenyl]-6-oxopiperazin-2-yl]methoxy]-3,4-dihydro-2H-quinolin-1-yl]ethyl]acetamide
• PubChem CID: 11433420
• Molecular Formula: C34H41FN4O5
• Molecular Weight: 604.72 g/mol
• Exact Mass: 604.31
• IUPAC Name: N-[2-[7-[[(2R)-1-[4-[3-[(2-fluorophenyl)methoxy]propoxy]phenyl]-6-oxopiperazin-2-yl]methoxy]-3,4-dihydro-2H-quinolin-1-yl]ethyl]acetamide
• SMILES: CC(=O)NCCN1CCCc2ccc(OC[C@H]3CNCC(=O)N3c3ccc(OCCCOCc4ccccc4F)cc3)cc21
• InChI: InChI=1S/C34H41FN4O5/c1-25(40)37-15-17-38-16-4-7-26-9-12-31(20-33(26)38)44-24-29-21-36-22-34(41)39(29)28-10-13-30(14-11-28)43-19-5-18-42-23-27-6-2-3-8-32(27)35/h2-3,6,8-14,20,29,36H,4-5,7,15-19,21-24H2,1H3,(H,37,40)/t29-/m1/s1
• InChIKey: PZQQPDHMVNKFMF-GDLZYMKVSA-N
• XLogP: 4.08
• TPSA: 92.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	604.72
LogP ≤ 5	4.08
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 N-[2-[7-[[(2R)-1-[4-[3-[(2-fluorophenyl)methoxy]propoxy]phenyl]-6-oxopiperazin-2-yl]methoxy]-3,4-dihydro-2H-quinolin-1-yl]ethyl]acetamide?

The IUPAC name of N-[2-[7-[[(2R)-1-[4-[3-[(2-fluorophenyl)methoxy]propoxy]phenyl]-6-oxopiperazin-2-yl]methoxy]-3,4-dihydro-2H-quinolin-1-yl]ethyl]acetamide (CID 11433420) is N-[2-[7-[[(2R)-1-[4-[3-[(2-fluorophenyl)methoxy]propoxy]phenyl]-6-oxopiperazin-2-yl]methoxy]-3,4-dihydro-2H-quinolin-1-yl]ethyl]acetamide.

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

The canonical SMILES for N-[2-[7-[[(2R)-1-[4-[3-[(2-fluorophenyl)methoxy]propoxy]phenyl]-6-oxopiperazin-2-yl]methoxy]-3,4-dihydro-2H-quinolin-1-yl]ethyl]acetamide is CC(=O)NCCN1CCCc2ccc(OC[C@H]3CNCC(=O)N3c3ccc(OCCCOCc4ccccc4F)cc3)cc21.

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

The InChIKey is PZQQPDHMVNKFMF-GDLZYMKVSA-N. The full InChI is InChI=1S/C34H41FN4O5/c1-25(40)37-15-17-38-16-4-7-26-9-12-31(20-33(26)38)44-24-29-21-36-22-34(41)39(29)28-10-13-30(14-11-28)43-19-5-18-42-23-27-6-2-3-8-32(27)35/h2-3,6,8-14,20,29,36H,4-5,7,15-19,21-24H2,1H3,(H,37,40)/t29-/m1/s1.

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

N-[2-[7-[[(2R)-1-[4-[3-[(2-fluorophenyl)methoxy]propoxy]phenyl]-6-oxopiperazin-2-yl]methoxy]-3,4-dihydro-2H-quinolin-1-yl]ethyl]acetamide has a molecular weight of 604.72 g/mol, XLogP of 4.08, 14 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[7-[[(2R)-1-[4-[3-[(2-fluorophenyl)methoxy]propoxy]phenyl]-6-oxopiperazin-2-yl]methoxy]-3,4-dihydro-2H-quinolin-1-yl]ethyl]acetamide is sourced from PubChem (CID 11433420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).