1-benzyl-7-chloro-4-hydroxy-6-methyl-5-phenyl-3-piperazin-1-ylquinolin-2-one

C27H26ClN3O2 — CID 91206212

IUPAC1-benzyl-7-chloro-4-hydroxy-6-methyl-5-phenyl-3-piperazin-1-ylquinolin-2-one
SMILESCc1c(Cl)cc2c(c(O)c(N3CCNCC3)c(=O)n2Cc2ccccc2)c1-c1ccccc1
InChIInChI=1S/C27H26ClN3O2/c1-18-21(28)16-22-24(23(18)20-10-6-3-7-11-20)26(32)25(30-14-12-29-13-15-30)27(33)31(22)17-19-8-4-2-5-9-19/h2-11,16,29,32H,12-15,17H2,1H3
InChIKeyXVXXPRXPGMHZNF-UHFFFAOYSA-N
MW459.98 g/mol
LogP4.79
Rot. Bonds4

About 1-benzyl-7-chloro-4-hydroxy-6-methyl-5-phenyl-3-piperazin-1-ylquinolin-2-one

1-benzyl-7-chloro-4-hydroxy-6-methyl-5-phenyl-3-piperazin-1-ylquinolin-2-one (PubChem CID 91206212) has the molecular formula C27H26ClN3O2 and a molecular weight of 459.98 g/mol. Its IUPAC name is 1-benzyl-7-chloro-4-hydroxy-6-methyl-5-phenyl-3-piperazin-1-ylquinolin-2-one.

Molecular Properties

Compound Name1-benzyl-7-chloro-4-hydroxy-6-methyl-5-phenyl-3-piperazin-1-ylquinolin-2-one
PubChem CID91206212
Molecular FormulaC27H26ClN3O2
Molecular Weight459.98 g/mol
Exact Mass459.17
IUPAC Name1-benzyl-7-chloro-4-hydroxy-6-methyl-5-phenyl-3-piperazin-1-ylquinolin-2-one
SMILESCc1c(Cl)cc2c(c(O)c(N3CCNCC3)c(=O)n2Cc2ccccc2)c1-c1ccccc1
InChIInChI=1S/C27H26ClN3O2/c1-18-21(28)16-22-24(23(18)20-10-6-3-7-11-20)26(32)25(30-14-12-29-13-15-30)27(33)31(22)17-19-8-4-2-5-9-19/h2-11,16,29,32H,12-15,17H2,1H3
InChIKeyXVXXPRXPGMHZNF-UHFFFAOYSA-N
XLogP4.79
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.98
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-benzyl-7-chloro-4-hydroxy-6-methyl-5-phenyl-3-piperazin-1-ylquinolin-2-one with MolForge

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Related Compounds

1-benzyl-7-chloro-3-(2-phenylethyl)-5-piperazin-1-ylquinazoline-2,4-dione
CID 24785463
1-benzyl-5-chloro-3-[(3-iodophenyl)methyl]-7-piperazin-1-ylquinazoline-2,4-dione
CID 24784970
(1-benzyl-2,5-dimethylpyrrol-3-yl)-piperazin-1-ylmethanone;hydrochloride
CID 119401713
6-chloro-1-[(4-methylphenyl)methyl]-2-oxo-4-piperazin-1-ylquinoline-3-carbonitrile
CID 71171374
4-chloro-3-methyl-2-piperazin-1-ylphenol
CID 84791178
1-[(4-fluorophenyl)methyl]-2-oxo-4-piperazin-1-ylquinoline-3-carbonitrile;hydrochloride
CID 70874272
1-benzyl-7-chloro-3-methyl-5-(4-methylpiperazin-1-yl)quinazoline-2,4-dione
CID 24782170
1-benzyl-4-hydroxy-3-methoxy-5,6-dimethylpyridin-2-one
CID 54710992
5-benzyl-2,3,7,8-tetrahydroxyphenanthridin-6-one
CID 5328656
3-chloro-2-piperazin-1-ylphenol
CID 84679423
1-benzyl-5-chloro-3-(6-methyl-2,4-dioxo-5-phenyl-1H-thieno[2,3-d]pyrimidin-3-yl)indole-2-carboxylic acid
CID 58331619
1-benzyl-3-(4,5-dihydro-1H-imidazol-2-yl)-4-hydroxyquinolin-2-one
CID 135697392

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-7-chloro-4-hydroxy-6-methyl-5-phenyl-3-piperazin-1-ylquinolin-2-one?
The IUPAC name of 1-benzyl-7-chloro-4-hydroxy-6-methyl-5-phenyl-3-piperazin-1-ylquinolin-2-one (CID 91206212) is 1-benzyl-7-chloro-4-hydroxy-6-methyl-5-phenyl-3-piperazin-1-ylquinolin-2-one.
What is the SMILES notation for 1-benzyl-7-chloro-4-hydroxy-6-methyl-5-phenyl-3-piperazin-1-ylquinolin-2-one?
The canonical SMILES for 1-benzyl-7-chloro-4-hydroxy-6-methyl-5-phenyl-3-piperazin-1-ylquinolin-2-one is Cc1c(Cl)cc2c(c(O)c(N3CCNCC3)c(=O)n2Cc2ccccc2)c1-c1ccccc1.
What is the InChIKey of 1-benzyl-7-chloro-4-hydroxy-6-methyl-5-phenyl-3-piperazin-1-ylquinolin-2-one?
The InChIKey is XVXXPRXPGMHZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN3O2/c1-18-21(28)16-22-24(23(18)20-10-6-3-7-11-20)26(32)25(30-14-12-29-13-15-30)27(33)31(22)17-19-8-4-2-5-9-19/h2-11,16,29,32H,12-15,17H2,1H3.
What are the key properties of 1-benzyl-7-chloro-4-hydroxy-6-methyl-5-phenyl-3-piperazin-1-ylquinolin-2-one?
1-benzyl-7-chloro-4-hydroxy-6-methyl-5-phenyl-3-piperazin-1-ylquinolin-2-one has a molecular weight of 459.98 g/mol, XLogP of 4.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-7-chloro-4-hydroxy-6-methyl-5-phenyl-3-piperazin-1-ylquinolin-2-one is sourced from PubChem (CID 91206212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).