3,3-dibenzyl-6-chloro-4-hydroxy-1,4-dihydroquinolin-2-one

C23H20ClNO2 — CID 90677363

IUPAC3,3-dibenzyl-6-chloro-4-hydroxy-1,4-dihydroquinolin-2-one
SMILESO=C1Nc2ccc(Cl)cc2C(O)C1(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H20ClNO2/c24-18-11-12-20-19(13-18)21(26)23(22(27)25-20,14-16-7-3-1-4-8-16)15-17-9-5-2-6-10-17/h1-13,21,26H,14-15H2,(H,25,27)
InChIKeyQHNLFZFHWANYJL-UHFFFAOYSA-N
MW377.87 g/mol
LogP4.80
Rot. Bonds4

About 3,3-dibenzyl-6-chloro-4-hydroxy-1,4-dihydroquinolin-2-one

3,3-dibenzyl-6-chloro-4-hydroxy-1,4-dihydroquinolin-2-one (PubChem CID 90677363) has the molecular formula C23H20ClNO2 and a molecular weight of 377.87 g/mol. Its IUPAC name is 3,3-dibenzyl-6-chloro-4-hydroxy-1,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name3,3-dibenzyl-6-chloro-4-hydroxy-1,4-dihydroquinolin-2-one
PubChem CID90677363
Molecular FormulaC23H20ClNO2
Molecular Weight377.87 g/mol
Exact Mass377.12
IUPAC Name3,3-dibenzyl-6-chloro-4-hydroxy-1,4-dihydroquinolin-2-one
SMILESO=C1Nc2ccc(Cl)cc2C(O)C1(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H20ClNO2/c24-18-11-12-20-19(13-18)21(26)23(22(27)25-20,14-16-7-3-1-4-8-16)15-17-9-5-2-6-10-17/h1-13,21,26H,14-15H2,(H,25,27)
InChIKeyQHNLFZFHWANYJL-UHFFFAOYSA-N
XLogP4.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]prop-2-enamide
CID 44523157
6-chloro-4-hydroxy-3-(phenylmethyl)-1H-quinolin-2-one
CID 54680873
6-Chloro-3,3-bis[(4-chlorophenyl)methyl]-4-hydroxy-1,4-dihydroquinolin-2-one
CID 90677374
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-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
3,3-dibenzyl-1-ethyl-4-hydroxy-4H-quinolin-2-one
CID 90677371
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
3,3-dibenzyl-4-hydroxy-1-methyl-4H-quinolin-2-one
CID 90677370
6-chloro-1,3,3-tris[(4-chlorophenyl)methyl]-4-hydroxy-4H-quinolin-2-one
CID 90677376

Frequently Asked Questions

What is the IUPAC name of 3,3-dibenzyl-6-chloro-4-hydroxy-1,4-dihydroquinolin-2-one?
The IUPAC name of 3,3-dibenzyl-6-chloro-4-hydroxy-1,4-dihydroquinolin-2-one (CID 90677363) is 3,3-dibenzyl-6-chloro-4-hydroxy-1,4-dihydroquinolin-2-one.
What is the SMILES notation for 3,3-dibenzyl-6-chloro-4-hydroxy-1,4-dihydroquinolin-2-one?
The canonical SMILES for 3,3-dibenzyl-6-chloro-4-hydroxy-1,4-dihydroquinolin-2-one is O=C1Nc2ccc(Cl)cc2C(O)C1(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 3,3-dibenzyl-6-chloro-4-hydroxy-1,4-dihydroquinolin-2-one?
The InChIKey is QHNLFZFHWANYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClNO2/c24-18-11-12-20-19(13-18)21(26)23(22(27)25-20,14-16-7-3-1-4-8-16)15-17-9-5-2-6-10-17/h1-13,21,26H,14-15H2,(H,25,27).
What are the key properties of 3,3-dibenzyl-6-chloro-4-hydroxy-1,4-dihydroquinolin-2-one?
3,3-dibenzyl-6-chloro-4-hydroxy-1,4-dihydroquinolin-2-one has a molecular weight of 377.87 g/mol, XLogP of 4.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dibenzyl-6-chloro-4-hydroxy-1,4-dihydroquinolin-2-one is sourced from PubChem (CID 90677363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).