3,3-bis[(4-chlorophenyl)methyl]-4-hydroxy-1,4-dihydroquinolin-2-one

C23H19Cl2NO2 — CID 90677368

IUPAC3,3-bis[(4-chlorophenyl)methyl]-4-hydroxy-1,4-dihydroquinolin-2-one
SMILESO=C1Nc2ccccc2C(O)C1(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C23H19Cl2NO2/c24-17-9-5-15(6-10-17)13-23(14-16-7-11-18(25)12-8-16)21(27)19-3-1-2-4-20(19)26-22(23)28/h1-12,21,27H,13-14H2,(H,26,28)
InChIKeyFUXSCXURCIRELX-UHFFFAOYSA-N
MW412.32 g/mol
LogP5.45
Rot. Bonds4

About 3,3-bis[(4-chlorophenyl)methyl]-4-hydroxy-1,4-dihydroquinolin-2-one

3,3-bis[(4-chlorophenyl)methyl]-4-hydroxy-1,4-dihydroquinolin-2-one (PubChem CID 90677368) has the molecular formula C23H19Cl2NO2 and a molecular weight of 412.32 g/mol. Its IUPAC name is 3,3-bis[(4-chlorophenyl)methyl]-4-hydroxy-1,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name3,3-bis[(4-chlorophenyl)methyl]-4-hydroxy-1,4-dihydroquinolin-2-one
PubChem CID90677368
Molecular FormulaC23H19Cl2NO2
Molecular Weight412.32 g/mol
Exact Mass411.08
IUPAC Name3,3-bis[(4-chlorophenyl)methyl]-4-hydroxy-1,4-dihydroquinolin-2-one
SMILESO=C1Nc2ccccc2C(O)C1(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C23H19Cl2NO2/c24-17-9-5-15(6-10-17)13-23(14-16-7-11-18(25)12-8-16)21(27)19-3-1-2-4-20(19)26-22(23)28/h1-12,21,27H,13-14H2,(H,26,28)
InChIKeyFUXSCXURCIRELX-UHFFFAOYSA-N
XLogP5.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.32
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-bis[(4-chlorophenyl)methyl]-4-hydroxy-1,4-dihydroquinolin-2-one?
The IUPAC name of 3,3-bis[(4-chlorophenyl)methyl]-4-hydroxy-1,4-dihydroquinolin-2-one (CID 90677368) is 3,3-bis[(4-chlorophenyl)methyl]-4-hydroxy-1,4-dihydroquinolin-2-one.
What is the SMILES notation for 3,3-bis[(4-chlorophenyl)methyl]-4-hydroxy-1,4-dihydroquinolin-2-one?
The canonical SMILES for 3,3-bis[(4-chlorophenyl)methyl]-4-hydroxy-1,4-dihydroquinolin-2-one is O=C1Nc2ccccc2C(O)C1(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1.
What is the InChIKey of 3,3-bis[(4-chlorophenyl)methyl]-4-hydroxy-1,4-dihydroquinolin-2-one?
The InChIKey is FUXSCXURCIRELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2NO2/c24-17-9-5-15(6-10-17)13-23(14-16-7-11-18(25)12-8-16)21(27)19-3-1-2-4-20(19)26-22(23)28/h1-12,21,27H,13-14H2,(H,26,28).
What are the key properties of 3,3-bis[(4-chlorophenyl)methyl]-4-hydroxy-1,4-dihydroquinolin-2-one?
3,3-bis[(4-chlorophenyl)methyl]-4-hydroxy-1,4-dihydroquinolin-2-one has a molecular weight of 412.32 g/mol, XLogP of 5.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis[(4-chlorophenyl)methyl]-4-hydroxy-1,4-dihydroquinolin-2-one is sourced from PubChem (CID 90677368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).