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

C23H18Cl3NO2 — CID 90677374

IUPAC6-chloro-3,3-bis[(4-chlorophenyl)methyl]-4-hydroxy-1,4-dihydroquinolin-2-one
SMILESO=C1Nc2ccc(Cl)cc2C(O)C1(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C23H18Cl3NO2/c24-16-5-1-14(2-6-16)12-23(13-15-3-7-17(25)8-4-15)21(28)19-11-18(26)9-10-20(19)27-22(23)29/h1-11,21,28H,12-13H2,(H,27,29)
InChIKeyGUCJAXXWMROWPV-UHFFFAOYSA-N
MW446.76 g/mol
LogP6.10
Rot. Bonds4

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

6-chloro-3,3-bis[(4-chlorophenyl)methyl]-4-hydroxy-1,4-dihydroquinolin-2-one (PubChem CID 90677374) has the molecular formula C23H18Cl3NO2 and a molecular weight of 446.76 g/mol. Its IUPAC name is 6-chloro-3,3-bis[(4-chlorophenyl)methyl]-4-hydroxy-1,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-chloro-3,3-bis[(4-chlorophenyl)methyl]-4-hydroxy-1,4-dihydroquinolin-2-one
PubChem CID90677374
Molecular FormulaC23H18Cl3NO2
Molecular Weight446.76 g/mol
Exact Mass445.04
IUPAC Name6-chloro-3,3-bis[(4-chlorophenyl)methyl]-4-hydroxy-1,4-dihydroquinolin-2-one
SMILESO=C1Nc2ccc(Cl)cc2C(O)C1(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C23H18Cl3NO2/c24-16-5-1-14(2-6-16)12-23(13-15-3-7-17(25)8-4-15)21(28)19-11-18(26)9-10-20(19)27-22(23)29/h1-11,21,28H,12-13H2,(H,27,29)
InChIKeyGUCJAXXWMROWPV-UHFFFAOYSA-N
XLogP6.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.76
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-Dibenzyl-4-hydroxy-1,4-dihydroquinolin-2-one
CID 90677361
3,3-Dibenzyl-6-fluoro-4-hydroxy-1,4-dihydroquinolin-2-one
CID 90677362
3,3-Dibenzyl-6-chloro-4-hydroxy-1,4-dihydroquinolin-2-one
CID 90677363
3,3-Dibenzyl-4-hydroxy-6-methyl-1,4-dihydroquinolin-2-one
CID 90677365
3,3-Bis[(4-chlorophenyl)methyl]-4-hydroxy-1,4-dihydroquinolin-2-one
CID 90677368
6-chloro-3,3-bis[(4-chlorophenyl)methyl]-1-ethyl-4-hydroxy-4H-quinolin-2-one
CID 90677375
3,3-Bis[(2-chlorophenyl)methyl]-4-hydroxy-1,4-dihydroquinolin-2-one
CID 90677369
6-chloro-1,3,3-tris[(4-chlorophenyl)methyl]-4-hydroxy-4H-quinolin-2-one
CID 90677376
3,3-Bis(4-chlorophenyl)-10b-hydroxy-4a-methyl-4,6-dihydro-[1,2]dioxino[4,3-c]quinolin-5-one
CID 134928804
(4S)-7-chloro-4-hydroxy-3,3-dimethyl-1,4-dihydroquinolin-2-one
CID 176434714
N-[4-chloro-2-[(1S,2S)-2-(4-chlorophenyl)-1-(2-fluorophenyl)-2-hydroxyethyl]phenyl]-2,2-dimethylpropanamide
CID 56957381
6-[(4-chlorophenyl)-hydroxymethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 61080517

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3,3-bis[(4-chlorophenyl)methyl]-4-hydroxy-1,4-dihydroquinolin-2-one?
The IUPAC name of 6-chloro-3,3-bis[(4-chlorophenyl)methyl]-4-hydroxy-1,4-dihydroquinolin-2-one (CID 90677374) is 6-chloro-3,3-bis[(4-chlorophenyl)methyl]-4-hydroxy-1,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-chloro-3,3-bis[(4-chlorophenyl)methyl]-4-hydroxy-1,4-dihydroquinolin-2-one?
The canonical SMILES for 6-chloro-3,3-bis[(4-chlorophenyl)methyl]-4-hydroxy-1,4-dihydroquinolin-2-one is O=C1Nc2ccc(Cl)cc2C(O)C1(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1.
What is the InChIKey of 6-chloro-3,3-bis[(4-chlorophenyl)methyl]-4-hydroxy-1,4-dihydroquinolin-2-one?
The InChIKey is GUCJAXXWMROWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl3NO2/c24-16-5-1-14(2-6-16)12-23(13-15-3-7-17(25)8-4-15)21(28)19-11-18(26)9-10-20(19)27-22(23)29/h1-11,21,28H,12-13H2,(H,27,29).
What are the key properties of 6-chloro-3,3-bis[(4-chlorophenyl)methyl]-4-hydroxy-1,4-dihydroquinolin-2-one?
6-chloro-3,3-bis[(4-chlorophenyl)methyl]-4-hydroxy-1,4-dihydroquinolin-2-one has a molecular weight of 446.76 g/mol, XLogP of 6.10, 4 rotatable bonds, 2 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]-4-hydroxy-1,4-dihydroquinolin-2-one is sourced from PubChem (CID 90677374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).