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

C43H49F2N5O7 — CID 144649203

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

(4-aminocyclohexyl) N-[5-[5-[6-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-2-oxo-1,3-benzoxazol-3-yl]pentyl]-2-phenylphenyl]carbamate;dihydrofluoride (PubChem CID 144649203) has the molecular formula C43H49F2N5O7 and a molecular weight of 785.89 g/mol. Its IUPAC name is (4-aminocyclohexyl) N-[5-[5-[6-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-2-oxo-1,3-benzoxazol-3-yl]pentyl]-2-phenylphenyl]carbamate;dihydrofluoride.

Molecular Properties

• Compound Name: (4-aminocyclohexyl) N-[5-[5-[6-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-2-oxo-1,3-benzoxazol-3-yl]pentyl]-2-phenylphenyl]carbamate;dihydrofluoride
• PubChem CID: 144649203
• Molecular Formula: C43H49F2N5O7
• Molecular Weight: 785.89 g/mol
• Exact Mass: 785.36
• IUPAC Name: (4-aminocyclohexyl) N-[5-[5-[6-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-2-oxo-1,3-benzoxazol-3-yl]pentyl]-2-phenylphenyl]carbamate;dihydrofluoride
• SMILES: F.F.NC1CCC(OC(=O)Nc2cc(CCCCCn3c(=O)oc4cc(CNC[C@H](O)c5ccc(O)c6[nH]c(=O)ccc56)ccc43)ccc2-c2ccccc2)CC1
• InChI: InChI=1S/C43H47N5O7.2FH/c44-30-12-14-31(15-13-30)54-42(52)46-35-23-27(10-16-32(35)29-8-4-1-5-9-29)7-3-2-6-22-48-36-19-11-28(24-39(36)55-43(48)53)25-45-26-38(50)33-17-20-37(49)41-34(33)18-21-40(51)47-41;;/h1,4-5,8-11,16-21,23-24,30-31,38,45,49-50H,2-3,6-7,12-15,22,25-26,44H2,(H,46,52)(H,47,51);2*1H/t30?,31?,38-;;/m0../s1
• InChIKey: SUGQNXYNWMWEKS-SZXNVBTNSA-N
• XLogP: 7.17
• TPSA: 184.84 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	785.89
LogP ≤ 5	7.17
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-[5-[6-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-2-oxo-1,3-benzoxazol-3-yl]pentyl]-2-phenylphenyl]carbamate;dihydrofluoride?

The IUPAC name of (4-aminocyclohexyl) N-[5-[5-[6-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-2-oxo-1,3-benzoxazol-3-yl]pentyl]-2-phenylphenyl]carbamate;dihydrofluoride (CID 144649203) is (4-aminocyclohexyl) N-[5-[5-[6-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-2-oxo-1,3-benzoxazol-3-yl]pentyl]-2-phenylphenyl]carbamate;dihydrofluoride.

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

The canonical SMILES for (4-aminocyclohexyl) N-[5-[5-[6-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-2-oxo-1,3-benzoxazol-3-yl]pentyl]-2-phenylphenyl]carbamate;dihydrofluoride is F.F.NC1CCC(OC(=O)Nc2cc(CCCCCn3c(=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-[5-[6-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-2-oxo-1,3-benzoxazol-3-yl]pentyl]-2-phenylphenyl]carbamate;dihydrofluoride?

The InChIKey is SUGQNXYNWMWEKS-SZXNVBTNSA-N. The full InChI is InChI=1S/C43H47N5O7.2FH/c44-30-12-14-31(15-13-30)54-42(52)46-35-23-27(10-16-32(35)29-8-4-1-5-9-29)7-3-2-6-22-48-36-19-11-28(24-39(36)55-43(48)53)25-45-26-38(50)33-17-20-37(49)41-34(33)18-21-40(51)47-41;;/h1,4-5,8-11,16-21,23-24,30-31,38,45,49-50H,2-3,6-7,12-15,22,25-26,44H2,(H,46,52)(H,47,51);2*1H/t30?,31?,38-;;/m0../s1.

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

(4-aminocyclohexyl) N-[5-[5-[6-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-2-oxo-1,3-benzoxazol-3-yl]pentyl]-2-phenylphenyl]carbamate;dihydrofluoride has a molecular weight of 785.89 g/mol, XLogP of 7.17, 14 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (4-aminocyclohexyl) N-[5-[5-[6-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-2-oxo-1,3-benzoxazol-3-yl]pentyl]-2-phenylphenyl]carbamate;dihydrofluoride is sourced from PubChem (CID 144649203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).