(4S)-5,6,8-trichloro-4-phenyl-3,4-dihydro-1H-quinolin-2-one

C15H10Cl3NO — CID 139055821

IUPAC(4S)-5,6,8-trichloro-4-phenyl-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1C[C@@H](c2ccccc2)c2c(Cl)c(Cl)cc(Cl)c2N1
InChIInChI=1S/C15H10Cl3NO/c16-10-7-11(17)15-13(14(10)18)9(6-12(20)19-15)8-4-2-1-3-5-8/h1-5,7,9H,6H2,(H,19,20)/t9-/m0/s1
InChIKeyPHWHPHUZYVJCSL-VIFPVBQESA-N
MW326.61 g/mol
LogP5.12
Rot. Bonds1

About (4S)-5,6,8-trichloro-4-phenyl-3,4-dihydro-1H-quinolin-2-one

(4S)-5,6,8-trichloro-4-phenyl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 139055821) has the molecular formula C15H10Cl3NO and a molecular weight of 326.61 g/mol. Its IUPAC name is (4S)-5,6,8-trichloro-4-phenyl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name(4S)-5,6,8-trichloro-4-phenyl-3,4-dihydro-1H-quinolin-2-one
PubChem CID139055821
Molecular FormulaC15H10Cl3NO
Molecular Weight326.61 g/mol
Exact Mass324.98
IUPAC Name(4S)-5,6,8-trichloro-4-phenyl-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1C[C@@H](c2ccccc2)c2c(Cl)c(Cl)cc(Cl)c2N1
InChIInChI=1S/C15H10Cl3NO/c16-10-7-11(17)15-13(14(10)18)9(6-12(20)19-15)8-4-2-1-3-5-8/h1-5,7,9H,6H2,(H,19,20)/t9-/m0/s1
InChIKeyPHWHPHUZYVJCSL-VIFPVBQESA-N
XLogP5.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.61
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-5,6,8-trichloro-4-phenyl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of (4S)-5,6,8-trichloro-4-phenyl-3,4-dihydro-1H-quinolin-2-one (CID 139055821) is (4S)-5,6,8-trichloro-4-phenyl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for (4S)-5,6,8-trichloro-4-phenyl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for (4S)-5,6,8-trichloro-4-phenyl-3,4-dihydro-1H-quinolin-2-one is O=C1C[C@@H](c2ccccc2)c2c(Cl)c(Cl)cc(Cl)c2N1.
What is the InChIKey of (4S)-5,6,8-trichloro-4-phenyl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is PHWHPHUZYVJCSL-VIFPVBQESA-N. The full InChI is InChI=1S/C15H10Cl3NO/c16-10-7-11(17)15-13(14(10)18)9(6-12(20)19-15)8-4-2-1-3-5-8/h1-5,7,9H,6H2,(H,19,20)/t9-/m0/s1.
What are the key properties of (4S)-5,6,8-trichloro-4-phenyl-3,4-dihydro-1H-quinolin-2-one?
(4S)-5,6,8-trichloro-4-phenyl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 326.61 g/mol, XLogP of 5.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5,6,8-trichloro-4-phenyl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 139055821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).