8-hydroxy-5-[1-hydroxy-5-[3-[2-oxo-3-(4-phenylphenyl)propyl]phenyl]pentyl]-1H-quinolin-2-one

C35H33NO4 — CID 58123436

IUPAC8-hydroxy-5-[1-hydroxy-5-[3-[2-oxo-3-(4-phenylphenyl)propyl]phenyl]pentyl]-1H-quinolin-2-one
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)Cc1cccc(CCCCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1
InChIInChI=1S/C35H33NO4/c37-29(22-25-13-15-28(16-14-25)27-10-2-1-3-11-27)23-26-9-6-8-24(21-26)7-4-5-12-32(38)30-17-19-33(39)35-31(30)18-20-34(40)36-35/h1-3,6,8-11,13-21,32,38-39H,4-5,7,12,22-23H2,(H,36,40)
InChIKeyFNHJKKQIQYIGCV-UHFFFAOYSA-N
MW531.65 g/mol
LogP6.70
Rot. Bonds11

About 8-hydroxy-5-[1-hydroxy-5-[3-[2-oxo-3-(4-phenylphenyl)propyl]phenyl]pentyl]-1H-quinolin-2-one

8-hydroxy-5-[1-hydroxy-5-[3-[2-oxo-3-(4-phenylphenyl)propyl]phenyl]pentyl]-1H-quinolin-2-one (PubChem CID 58123436) has the molecular formula C35H33NO4 and a molecular weight of 531.65 g/mol. Its IUPAC name is 8-hydroxy-5-[1-hydroxy-5-[3-[2-oxo-3-(4-phenylphenyl)propyl]phenyl]pentyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name8-hydroxy-5-[1-hydroxy-5-[3-[2-oxo-3-(4-phenylphenyl)propyl]phenyl]pentyl]-1H-quinolin-2-one
PubChem CID58123436
Molecular FormulaC35H33NO4
Molecular Weight531.65 g/mol
Exact Mass531.24
IUPAC Name8-hydroxy-5-[1-hydroxy-5-[3-[2-oxo-3-(4-phenylphenyl)propyl]phenyl]pentyl]-1H-quinolin-2-one
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)Cc1cccc(CCCCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1
InChIInChI=1S/C35H33NO4/c37-29(22-25-13-15-28(16-14-25)27-10-2-1-3-11-27)23-26-9-6-8-24(21-26)7-4-5-12-32(38)30-17-19-33(39)35-31(30)18-20-34(40)36-35/h1-3,6,8-11,13-21,32,38-39H,4-5,7,12,22-23H2,(H,36,40)
InChIKeyFNHJKKQIQYIGCV-UHFFFAOYSA-N
XLogP6.70
TPSA90.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.65
LogP ≤ 56.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-5-[1-hydroxy-5-[3-[2-oxo-3-(4-phenylphenyl)propyl]phenyl]pentyl]-1H-quinolin-2-one?
The IUPAC name of 8-hydroxy-5-[1-hydroxy-5-[3-[2-oxo-3-(4-phenylphenyl)propyl]phenyl]pentyl]-1H-quinolin-2-one (CID 58123436) is 8-hydroxy-5-[1-hydroxy-5-[3-[2-oxo-3-(4-phenylphenyl)propyl]phenyl]pentyl]-1H-quinolin-2-one.
What is the SMILES notation for 8-hydroxy-5-[1-hydroxy-5-[3-[2-oxo-3-(4-phenylphenyl)propyl]phenyl]pentyl]-1H-quinolin-2-one?
The canonical SMILES for 8-hydroxy-5-[1-hydroxy-5-[3-[2-oxo-3-(4-phenylphenyl)propyl]phenyl]pentyl]-1H-quinolin-2-one is O=C(Cc1ccc(-c2ccccc2)cc1)Cc1cccc(CCCCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1.
What is the InChIKey of 8-hydroxy-5-[1-hydroxy-5-[3-[2-oxo-3-(4-phenylphenyl)propyl]phenyl]pentyl]-1H-quinolin-2-one?
The InChIKey is FNHJKKQIQYIGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33NO4/c37-29(22-25-13-15-28(16-14-25)27-10-2-1-3-11-27)23-26-9-6-8-24(21-26)7-4-5-12-32(38)30-17-19-33(39)35-31(30)18-20-34(40)36-35/h1-3,6,8-11,13-21,32,38-39H,4-5,7,12,22-23H2,(H,36,40).
What are the key properties of 8-hydroxy-5-[1-hydroxy-5-[3-[2-oxo-3-(4-phenylphenyl)propyl]phenyl]pentyl]-1H-quinolin-2-one?
8-hydroxy-5-[1-hydroxy-5-[3-[2-oxo-3-(4-phenylphenyl)propyl]phenyl]pentyl]-1H-quinolin-2-one has a molecular weight of 531.65 g/mol, XLogP of 6.70, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-5-[1-hydroxy-5-[3-[2-oxo-3-(4-phenylphenyl)propyl]phenyl]pentyl]-1H-quinolin-2-one is sourced from PubChem (CID 58123436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).