7-chloro-1-methyl-3-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]quinolin-2-one

C24H26ClN3O — CID 85479721

IUPAC7-chloro-1-methyl-3-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]quinolin-2-one
SMILESCn1c(=O)c(CN2CCN(CC=Cc3ccccc3)CC2)cc2ccc(Cl)cc21
InChIInChI=1S/C24H26ClN3O/c1-26-23-17-22(25)10-9-20(23)16-21(24(26)29)18-28-14-12-27(13-15-28)11-5-8-19-6-3-2-4-7-19/h2-10,16-17H,11-15,18H2,1H3
InChIKeyXGXQFUADDZVRJJ-UHFFFAOYSA-N
MW407.95 g/mol
LogP4.02
Rot. Bonds5

About 7-chloro-1-methyl-3-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]quinolin-2-one

7-chloro-1-methyl-3-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]quinolin-2-one (PubChem CID 85479721) has the molecular formula C24H26ClN3O and a molecular weight of 407.95 g/mol. Its IUPAC name is 7-chloro-1-methyl-3-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]quinolin-2-one.

Molecular Properties

Compound Name7-chloro-1-methyl-3-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]quinolin-2-one
PubChem CID85479721
Molecular FormulaC24H26ClN3O
Molecular Weight407.95 g/mol
Exact Mass407.18
IUPAC Name7-chloro-1-methyl-3-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]quinolin-2-one
SMILESCn1c(=O)c(CN2CCN(CC=Cc3ccccc3)CC2)cc2ccc(Cl)cc21
InChIInChI=1S/C24H26ClN3O/c1-26-23-17-22(25)10-9-20(23)16-21(24(26)29)18-28-14-12-27(13-15-28)11-5-8-19-6-3-2-4-7-19/h2-10,16-17H,11-15,18H2,1H3
InChIKeyXGXQFUADDZVRJJ-UHFFFAOYSA-N
XLogP4.02
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.95
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-chloro-1-methyl-3-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]quinolin-2-one with MolForge

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Related Compounds

7-chloro-1-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-2-one
CID 56860890
1-[(2-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 1377377
1-[(2,3-dichlorophenyl)methyl]-4-[(Z)-3-phenylprop-2-enyl]piperazine
CID 92904353
3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-methylquinolin-2-one
CID 91765227
1-(naphthalen-2-ylmethyl)-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 1377016
7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]purine-2,6-dione
CID 17071837
1-benzyl-4-(3-phenylprop-2-enyl)piperazine;oxalic acid
CID 171151283
7-chloro-1-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]quinolin-4-one
CID 100739421
1-[(2,4-difluorophenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine;oxalic acid
CID 2838695
(E)-3-(3-chlorophenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]prop-2-en-1-one
CID 6058638
1-(2-chloroethyl)-4-(3-phenylprop-2-enyl)piperazine
CID 54353609
6-chloro-1-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]quinolin-4-one
CID 100735956

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-methyl-3-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]quinolin-2-one?
The IUPAC name of 7-chloro-1-methyl-3-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]quinolin-2-one (CID 85479721) is 7-chloro-1-methyl-3-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]quinolin-2-one.
What is the SMILES notation for 7-chloro-1-methyl-3-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]quinolin-2-one?
The canonical SMILES for 7-chloro-1-methyl-3-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]quinolin-2-one is Cn1c(=O)c(CN2CCN(CC=Cc3ccccc3)CC2)cc2ccc(Cl)cc21.
What is the InChIKey of 7-chloro-1-methyl-3-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]quinolin-2-one?
The InChIKey is XGXQFUADDZVRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O/c1-26-23-17-22(25)10-9-20(23)16-21(24(26)29)18-28-14-12-27(13-15-28)11-5-8-19-6-3-2-4-7-19/h2-10,16-17H,11-15,18H2,1H3.
What are the key properties of 7-chloro-1-methyl-3-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]quinolin-2-one?
7-chloro-1-methyl-3-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]quinolin-2-one has a molecular weight of 407.95 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-methyl-3-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]quinolin-2-one is sourced from PubChem (CID 85479721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).