(4-aminocyclohexyl) N-[5-[4-[6-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-2-oxo-1,3-benzoxazol-3-yl]butyl]-2-phenylphenyl]carbamate;dihydrofluoride

C42H47F2N5O7 — CID 144649196

About (4-aminocyclohexyl) N-[5-[4-[6-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-2-oxo-1,3-benzoxazol-3-yl]butyl]-2-phenylphenyl]carbamate;dihydrofluoride

(4-aminocyclohexyl) N-[5-[4-[6-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-2-oxo-1,3-benzoxazol-3-yl]butyl]-2-phenylphenyl]carbamate;dihydrofluoride (PubChem CID 144649196) has the molecular formula C42H47F2N5O7 and a molecular weight of 771.86 g/mol. Its IUPAC name is (4-aminocyclohexyl) N-[5-[4-[6-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-2-oxo-1,3-benzoxazol-3-yl]butyl]-2-phenylphenyl]carbamate;dihydrofluoride.

Molecular Properties

• Compound Name: (4-aminocyclohexyl) N-[5-[4-[6-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-2-oxo-1,3-benzoxazol-3-yl]butyl]-2-phenylphenyl]carbamate;dihydrofluoride
• PubChem CID: 144649196
• Molecular Formula: C42H47F2N5O7
• Molecular Weight: 771.86 g/mol
• Exact Mass: 771.34
• IUPAC Name: (4-aminocyclohexyl) N-[5-[4-[6-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-2-oxo-1,3-benzoxazol-3-yl]butyl]-2-phenylphenyl]carbamate;dihydrofluoride
• SMILES: F.F.NC1CCC(OC(=O)Nc2cc(CCCCn3c(=O)oc4cc(CNC[C@H](O)c5ccc(O)c6[nH]c(=O)ccc56)ccc43)ccc2-c2ccccc2)CC1
• InChI: InChI=1S/C42H45N5O7.2FH/c43-29-11-13-30(14-12-29)53-41(51)45-34-22-26(9-15-31(34)28-7-2-1-3-8-28)6-4-5-21-47-35-18-10-27(23-38(35)54-42(47)52)24-44-25-37(49)32-16-19-36(48)40-33(32)17-20-39(50)46-40;;/h1-3,7-10,15-20,22-23,29-30,37,44,48-49H,4-6,11-14,21,24-25,43H2,(H,45,51)(H,46,50);2*1H/t29?,30?,37-;;/m0../s1
• InChIKey: FZYIPMCQOSSEER-CCOZQKPESA-N
• XLogP: 6.78
• TPSA: 184.84 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 13
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	771.86
LogP ≤ 5	6.78
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4-aminocyclohexyl) N-[5-[4-[6-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-2-oxo-1,3-benzoxazol-3-yl]butyl]-2-phenylphenyl]carbamate;dihydrofluoride?

The IUPAC name of (4-aminocyclohexyl) N-[5-[4-[6-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-2-oxo-1,3-benzoxazol-3-yl]butyl]-2-phenylphenyl]carbamate;dihydrofluoride (CID 144649196) is (4-aminocyclohexyl) N-[5-[4-[6-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-2-oxo-1,3-benzoxazol-3-yl]butyl]-2-phenylphenyl]carbamate;dihydrofluoride.

What is the SMILES notation for (4-aminocyclohexyl) N-[5-[4-[6-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-2-oxo-1,3-benzoxazol-3-yl]butyl]-2-phenylphenyl]carbamate;dihydrofluoride?

The canonical SMILES for (4-aminocyclohexyl) N-[5-[4-[6-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-2-oxo-1,3-benzoxazol-3-yl]butyl]-2-phenylphenyl]carbamate;dihydrofluoride is F.F.NC1CCC(OC(=O)Nc2cc(CCCCn3c(=O)oc4cc(CNC[C@H](O)c5ccc(O)c6[nH]c(=O)ccc56)ccc43)ccc2-c2ccccc2)CC1.

What is the InChIKey of (4-aminocyclohexyl) N-[5-[4-[6-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-2-oxo-1,3-benzoxazol-3-yl]butyl]-2-phenylphenyl]carbamate;dihydrofluoride?

The InChIKey is FZYIPMCQOSSEER-CCOZQKPESA-N. The full InChI is InChI=1S/C42H45N5O7.2FH/c43-29-11-13-30(14-12-29)53-41(51)45-34-22-26(9-15-31(34)28-7-2-1-3-8-28)6-4-5-21-47-35-18-10-27(23-38(35)54-42(47)52)24-44-25-37(49)32-16-19-36(48)40-33(32)17-20-39(50)46-40;;/h1-3,7-10,15-20,22-23,29-30,37,44,48-49H,4-6,11-14,21,24-25,43H2,(H,45,51)(H,46,50);2*1H/t29?,30?,37-;;/m0../s1.

What are the key properties of (4-aminocyclohexyl) N-[5-[4-[6-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-2-oxo-1,3-benzoxazol-3-yl]butyl]-2-phenylphenyl]carbamate;dihydrofluoride?

(4-aminocyclohexyl) N-[5-[4-[6-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-2-oxo-1,3-benzoxazol-3-yl]butyl]-2-phenylphenyl]carbamate;dihydrofluoride has a molecular weight of 771.86 g/mol, XLogP of 6.78, 13 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (4-aminocyclohexyl) N-[5-[4-[6-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-2-oxo-1,3-benzoxazol-3-yl]butyl]-2-phenylphenyl]carbamate;dihydrofluoride is sourced from PubChem (CID 144649196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).