[5-[3-[5-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-2-oxo-3H-benzimidazol-1-yl]propyl]-2-phenylphenyl]carbamic acid

C35H33N5O6 — CID 90240291

About [5-[3-[5-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-2-oxo-3H-benzimidazol-1-yl]propyl]-2-phenylphenyl]carbamic acid

[5-[3-[5-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-2-oxo-3H-benzimidazol-1-yl]propyl]-2-phenylphenyl]carbamic acid (PubChem CID 90240291) has the molecular formula C35H33N5O6 and a molecular weight of 619.68 g/mol. Its IUPAC name is [5-[3-[5-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-2-oxo-3H-benzimidazol-1-yl]propyl]-2-phenylphenyl]carbamic acid.

Molecular Properties

• Compound Name: [5-[3-[5-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-2-oxo-3H-benzimidazol-1-yl]propyl]-2-phenylphenyl]carbamic acid
• PubChem CID: 90240291
• Molecular Formula: C35H33N5O6
• Molecular Weight: 619.68 g/mol
• Exact Mass: 619.24
• IUPAC Name: [5-[3-[5-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-2-oxo-3H-benzimidazol-1-yl]propyl]-2-phenylphenyl]carbamic acid
• SMILES: O=C(O)Nc1cc(CCCn2c(=O)[nH]c3cc(CNC[C@H](O)c4ccc(O)c5[nH]c(=O)ccc45)ccc32)ccc1-c1ccccc1
• InChI: InChI=1S/C35H33N5O6/c41-30-14-11-25(26-12-15-32(43)39-33(26)30)31(42)20-36-19-22-9-13-29-28(18-22)37-34(44)40(29)16-4-5-21-8-10-24(23-6-2-1-3-7-23)27(17-21)38-35(45)46/h1-3,6-15,17-18,31,36,38,41-42H,4-5,16,19-20H2,(H,37,44)(H,39,43)(H,45,46)/t31-/m0/s1
• InChIKey: VWSUEGJDXIANKP-HKBQPEDESA-N
• XLogP: 5.09
• TPSA: 172.47 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	619.68
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [5-[3-[5-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-2-oxo-3H-benzimidazol-1-yl]propyl]-2-phenylphenyl]carbamic acid?

The IUPAC name of [5-[3-[5-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-2-oxo-3H-benzimidazol-1-yl]propyl]-2-phenylphenyl]carbamic acid (CID 90240291) is [5-[3-[5-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-2-oxo-3H-benzimidazol-1-yl]propyl]-2-phenylphenyl]carbamic acid.

What is the SMILES notation for [5-[3-[5-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-2-oxo-3H-benzimidazol-1-yl]propyl]-2-phenylphenyl]carbamic acid?

The canonical SMILES for [5-[3-[5-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-2-oxo-3H-benzimidazol-1-yl]propyl]-2-phenylphenyl]carbamic acid is O=C(O)Nc1cc(CCCn2c(=O)[nH]c3cc(CNC[C@H](O)c4ccc(O)c5[nH]c(=O)ccc45)ccc32)ccc1-c1ccccc1.

What is the InChIKey of [5-[3-[5-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-2-oxo-3H-benzimidazol-1-yl]propyl]-2-phenylphenyl]carbamic acid?

The InChIKey is VWSUEGJDXIANKP-HKBQPEDESA-N. The full InChI is InChI=1S/C35H33N5O6/c41-30-14-11-25(26-12-15-32(43)39-33(26)30)31(42)20-36-19-22-9-13-29-28(18-22)37-34(44)40(29)16-4-5-21-8-10-24(23-6-2-1-3-7-23)27(17-21)38-35(45)46/h1-3,6-15,17-18,31,36,38,41-42H,4-5,16,19-20H2,(H,37,44)(H,39,43)(H,45,46)/t31-/m0/s1.

What are the key properties of [5-[3-[5-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-2-oxo-3H-benzimidazol-1-yl]propyl]-2-phenylphenyl]carbamic acid?

[5-[3-[5-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-2-oxo-3H-benzimidazol-1-yl]propyl]-2-phenylphenyl]carbamic acid has a molecular weight of 619.68 g/mol, XLogP of 5.09, 11 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[3-[5-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-2-oxo-3H-benzimidazol-1-yl]propyl]-2-phenylphenyl]carbamic acid is sourced from PubChem (CID 90240291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).