5-hydroxy-8-phenyl-1-[(4-phenylphenyl)methyl]-3,4-dihydroquinolin-2-one

C28H23NO2 — CID 66596773

IUPAC5-hydroxy-8-phenyl-1-[(4-phenylphenyl)methyl]-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2c(O)ccc(-c3ccccc3)c2N1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C28H23NO2/c30-26-17-15-24(23-9-5-2-6-10-23)28-25(26)16-18-27(31)29(28)19-20-11-13-22(14-12-20)21-7-3-1-4-8-21/h1-15,17,30H,16,18-19H2
InChIKeyCBSLPKNGCMZYFC-UHFFFAOYSA-N
MW405.50 g/mol
LogP6.21
Rot. Bonds4

About 5-hydroxy-8-phenyl-1-[(4-phenylphenyl)methyl]-3,4-dihydroquinolin-2-one

5-hydroxy-8-phenyl-1-[(4-phenylphenyl)methyl]-3,4-dihydroquinolin-2-one (PubChem CID 66596773) has the molecular formula C28H23NO2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 5-hydroxy-8-phenyl-1-[(4-phenylphenyl)methyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name5-hydroxy-8-phenyl-1-[(4-phenylphenyl)methyl]-3,4-dihydroquinolin-2-one
PubChem CID66596773
Molecular FormulaC28H23NO2
Molecular Weight405.50 g/mol
Exact Mass405.17
IUPAC Name5-hydroxy-8-phenyl-1-[(4-phenylphenyl)methyl]-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2c(O)ccc(-c3ccccc3)c2N1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C28H23NO2/c30-26-17-15-24(23-9-5-2-6-10-23)28-25(26)16-18-27(31)29(28)19-20-11-13-22(14-12-20)21-7-3-1-4-8-21/h1-15,17,30H,16,18-19H2
InChIKeyCBSLPKNGCMZYFC-UHFFFAOYSA-N
XLogP6.21
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.50
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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CID 102292023
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CID 102292024
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CID 102292030
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CID 58189
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CID 152673207
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CID 50975368
CID 50975368

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-8-phenyl-1-[(4-phenylphenyl)methyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 5-hydroxy-8-phenyl-1-[(4-phenylphenyl)methyl]-3,4-dihydroquinolin-2-one (CID 66596773) is 5-hydroxy-8-phenyl-1-[(4-phenylphenyl)methyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 5-hydroxy-8-phenyl-1-[(4-phenylphenyl)methyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 5-hydroxy-8-phenyl-1-[(4-phenylphenyl)methyl]-3,4-dihydroquinolin-2-one is O=C1CCc2c(O)ccc(-c3ccccc3)c2N1Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 5-hydroxy-8-phenyl-1-[(4-phenylphenyl)methyl]-3,4-dihydroquinolin-2-one?
The InChIKey is CBSLPKNGCMZYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23NO2/c30-26-17-15-24(23-9-5-2-6-10-23)28-25(26)16-18-27(31)29(28)19-20-11-13-22(14-12-20)21-7-3-1-4-8-21/h1-15,17,30H,16,18-19H2.
What are the key properties of 5-hydroxy-8-phenyl-1-[(4-phenylphenyl)methyl]-3,4-dihydroquinolin-2-one?
5-hydroxy-8-phenyl-1-[(4-phenylphenyl)methyl]-3,4-dihydroquinolin-2-one has a molecular weight of 405.50 g/mol, XLogP of 6.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-8-phenyl-1-[(4-phenylphenyl)methyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 66596773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).