6-chloro-3,3-bis[(4-chlorophenyl)methyl]-1-ethyl-4-hydroxy-4H-quinolin-2-one

C25H22Cl3NO2 — CID 90677375

IUPAC6-chloro-3,3-bis[(4-chlorophenyl)methyl]-1-ethyl-4-hydroxy-4H-quinolin-2-one
SMILESCCN1C(=O)C(Cc2ccc(Cl)cc2)(Cc2ccc(Cl)cc2)C(O)c2cc(Cl)ccc21
InChIInChI=1S/C25H22Cl3NO2/c1-2-29-22-12-11-20(28)13-21(22)23(30)25(24(29)31,14-16-3-7-18(26)8-4-16)15-17-5-9-19(27)10-6-17/h3-13,23,30H,2,14-15H2,1H3
InChIKeyONWCDPSXLWBYBE-UHFFFAOYSA-N
MW474.82 g/mol
LogP6.52
Rot. Bonds5

About 6-chloro-3,3-bis[(4-chlorophenyl)methyl]-1-ethyl-4-hydroxy-4H-quinolin-2-one

6-chloro-3,3-bis[(4-chlorophenyl)methyl]-1-ethyl-4-hydroxy-4H-quinolin-2-one (PubChem CID 90677375) has the molecular formula C25H22Cl3NO2 and a molecular weight of 474.82 g/mol. Its IUPAC name is 6-chloro-3,3-bis[(4-chlorophenyl)methyl]-1-ethyl-4-hydroxy-4H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-3,3-bis[(4-chlorophenyl)methyl]-1-ethyl-4-hydroxy-4H-quinolin-2-one
PubChem CID90677375
Molecular FormulaC25H22Cl3NO2
Molecular Weight474.82 g/mol
Exact Mass473.07
IUPAC Name6-chloro-3,3-bis[(4-chlorophenyl)methyl]-1-ethyl-4-hydroxy-4H-quinolin-2-one
SMILESCCN1C(=O)C(Cc2ccc(Cl)cc2)(Cc2ccc(Cl)cc2)C(O)c2cc(Cl)ccc21
InChIInChI=1S/C25H22Cl3NO2/c1-2-29-22-12-11-20(28)13-21(22)23(30)25(24(29)31,14-16-3-7-18(26)8-4-16)15-17-5-9-19(27)10-6-17/h3-13,23,30H,2,14-15H2,1H3
InChIKeyONWCDPSXLWBYBE-UHFFFAOYSA-N
XLogP6.52
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.82
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3,3-bis[(4-chlorophenyl)methyl]-1-ethyl-4-hydroxy-4H-quinolin-2-one?
The IUPAC name of 6-chloro-3,3-bis[(4-chlorophenyl)methyl]-1-ethyl-4-hydroxy-4H-quinolin-2-one (CID 90677375) is 6-chloro-3,3-bis[(4-chlorophenyl)methyl]-1-ethyl-4-hydroxy-4H-quinolin-2-one.
What is the SMILES notation for 6-chloro-3,3-bis[(4-chlorophenyl)methyl]-1-ethyl-4-hydroxy-4H-quinolin-2-one?
The canonical SMILES for 6-chloro-3,3-bis[(4-chlorophenyl)methyl]-1-ethyl-4-hydroxy-4H-quinolin-2-one is CCN1C(=O)C(Cc2ccc(Cl)cc2)(Cc2ccc(Cl)cc2)C(O)c2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-3,3-bis[(4-chlorophenyl)methyl]-1-ethyl-4-hydroxy-4H-quinolin-2-one?
The InChIKey is ONWCDPSXLWBYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22Cl3NO2/c1-2-29-22-12-11-20(28)13-21(22)23(30)25(24(29)31,14-16-3-7-18(26)8-4-16)15-17-5-9-19(27)10-6-17/h3-13,23,30H,2,14-15H2,1H3.
What are the key properties of 6-chloro-3,3-bis[(4-chlorophenyl)methyl]-1-ethyl-4-hydroxy-4H-quinolin-2-one?
6-chloro-3,3-bis[(4-chlorophenyl)methyl]-1-ethyl-4-hydroxy-4H-quinolin-2-one has a molecular weight of 474.82 g/mol, XLogP of 6.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3,3-bis[(4-chlorophenyl)methyl]-1-ethyl-4-hydroxy-4H-quinolin-2-one is sourced from PubChem (CID 90677375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).