N-hydroxy-4-[(3R)-3-hydroxy-3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-1-[3-(2,4,6-trifluorophenyl)prop-2-ynyl]piperidine-4-carboxamide

C33H37F3N4O5 — CID 20798252

About N-hydroxy-4-[(3R)-3-hydroxy-3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-1-[3-(2,4,6-trifluorophenyl)prop-2-ynyl]piperidine-4-carboxamide

N-hydroxy-4-[(3R)-3-hydroxy-3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-1-[3-(2,4,6-trifluorophenyl)prop-2-ynyl]piperidine-4-carboxamide (PubChem CID 20798252) has the molecular formula C33H37F3N4O5 and a molecular weight of 626.68 g/mol. Its IUPAC name is N-hydroxy-4-[(3R)-3-hydroxy-3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-1-[3-(2,4,6-trifluorophenyl)prop-2-ynyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-hydroxy-4-[(3R)-3-hydroxy-3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-1-[3-(2,4,6-trifluorophenyl)prop-2-ynyl]piperidine-4-carboxamide
• PubChem CID: 20798252
• Molecular Formula: C33H37F3N4O5
• Molecular Weight: 626.68 g/mol
• Exact Mass: 626.27
• IUPAC Name: N-hydroxy-4-[(3R)-3-hydroxy-3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-1-[3-(2,4,6-trifluorophenyl)prop-2-ynyl]piperidine-4-carboxamide
• SMILES: COc1ccc2ncc(CN3CCOCC3)c([C@H](O)CCC3(C(=O)NO)CCN(CC#Cc4c(F)cc(F)cc4F)CC3)c2c1
• InChI: InChI=1S/C33H37F3N4O5/c1-44-24-4-5-29-26(19-24)31(22(20-37-29)21-40-13-15-45-16-14-40)30(41)6-7-33(32(42)38-43)8-11-39(12-9-33)10-2-3-25-27(35)17-23(34)18-28(25)36/h4-5,17-20,30,41,43H,6-16,21H2,1H3,(H,38,42)/t30-/m1/s1
• InChIKey: KSWCZWODQQWCAS-SSEXGKCCSA-N
• XLogP: 3.95
• TPSA: 107.39 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	626.68
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[(3R)-3-hydroxy-3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-1-[3-(2,4,6-trifluorophenyl)prop-2-ynyl]piperidine-4-carboxamide?

The IUPAC name of N-hydroxy-4-[(3R)-3-hydroxy-3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-1-[3-(2,4,6-trifluorophenyl)prop-2-ynyl]piperidine-4-carboxamide (CID 20798252) is N-hydroxy-4-[(3R)-3-hydroxy-3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-1-[3-(2,4,6-trifluorophenyl)prop-2-ynyl]piperidine-4-carboxamide.

What is the SMILES notation for N-hydroxy-4-[(3R)-3-hydroxy-3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-1-[3-(2,4,6-trifluorophenyl)prop-2-ynyl]piperidine-4-carboxamide?

The canonical SMILES for N-hydroxy-4-[(3R)-3-hydroxy-3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-1-[3-(2,4,6-trifluorophenyl)prop-2-ynyl]piperidine-4-carboxamide is COc1ccc2ncc(CN3CCOCC3)c([C@H](O)CCC3(C(=O)NO)CCN(CC#Cc4c(F)cc(F)cc4F)CC3)c2c1.

What is the InChIKey of N-hydroxy-4-[(3R)-3-hydroxy-3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-1-[3-(2,4,6-trifluorophenyl)prop-2-ynyl]piperidine-4-carboxamide?

The InChIKey is KSWCZWODQQWCAS-SSEXGKCCSA-N. The full InChI is InChI=1S/C33H37F3N4O5/c1-44-24-4-5-29-26(19-24)31(22(20-37-29)21-40-13-15-45-16-14-40)30(41)6-7-33(32(42)38-43)8-11-39(12-9-33)10-2-3-25-27(35)17-23(34)18-28(25)36/h4-5,17-20,30,41,43H,6-16,21H2,1H3,(H,38,42)/t30-/m1/s1.

What are the key properties of N-hydroxy-4-[(3R)-3-hydroxy-3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-1-[3-(2,4,6-trifluorophenyl)prop-2-ynyl]piperidine-4-carboxamide?

N-hydroxy-4-[(3R)-3-hydroxy-3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-1-[3-(2,4,6-trifluorophenyl)prop-2-ynyl]piperidine-4-carboxamide has a molecular weight of 626.68 g/mol, XLogP of 3.95, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-hydroxy-4-[(3R)-3-hydroxy-3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-1-[3-(2,4,6-trifluorophenyl)prop-2-ynyl]piperidine-4-carboxamide is sourced from PubChem (CID 20798252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).