3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-ethyl-3,4-dihydroquinolin-2-one

C22H26ClN3O — CID 10045525

IUPAC3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-ethyl-3,4-dihydroquinolin-2-one
SMILESCCN1C(=O)C(N2CCN(Cc3ccc(Cl)cc3)CC2)Cc2ccccc21
InChIInChI=1S/C22H26ClN3O/c1-2-26-20-6-4-3-5-18(20)15-21(22(26)27)25-13-11-24(12-14-25)16-17-7-9-19(23)10-8-17/h3-10,21H,2,11-16H2,1H3
InChIKeyBZWQAKCTTBOIKJ-UHFFFAOYSA-N
MW383.92 g/mol
LogP3.44
Rot. Bonds4

About 3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-ethyl-3,4-dihydroquinolin-2-one

3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-ethyl-3,4-dihydroquinolin-2-one (PubChem CID 10045525) has the molecular formula C22H26ClN3O and a molecular weight of 383.92 g/mol. Its IUPAC name is 3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-ethyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-ethyl-3,4-dihydroquinolin-2-one
PubChem CID10045525
Molecular FormulaC22H26ClN3O
Molecular Weight383.92 g/mol
Exact Mass383.18
IUPAC Name3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-ethyl-3,4-dihydroquinolin-2-one
SMILESCCN1C(=O)C(N2CCN(Cc3ccc(Cl)cc3)CC2)Cc2ccccc21
InChIInChI=1S/C22H26ClN3O/c1-2-26-20-6-4-3-5-18(20)15-21(22(26)27)25-13-11-24(12-14-25)16-17-7-9-19(23)10-8-17/h3-10,21H,2,11-16H2,1H3
InChIKeyBZWQAKCTTBOIKJ-UHFFFAOYSA-N
XLogP3.44
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.92
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Lorcainide
CID 42884
8-{2-[4-(5-Chloro-2-methylphenyl)piperazino]ethyl}-8-azaspiro[4.5]decane-7,9-dione
CID 9887458
1-(3-(4-phenylpiperazin-1-yl)propyl)-3,4-dihydroquinolin-2(1H)-one
CID 14925759
1-[3-[4-(2-Chlorophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;oxalic acid
CID 168269655
1-[3-[4-(4-Chlorophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;oxalic acid
CID 168285555
1-[3-[4-(3-Chlorophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;oxalic acid
CID 168293565
N-[(4-chlorophenyl)methyl]-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 6466542
1-(4-Chlorophenyl)-4-(3-phenylpropanoyl)piperazine
CID 757895
3-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1,3-dimethyl-1,3-dihydro-indol-2-one
CID 9799491
2-[1-(4-Chloro-benzyl)-piperidin-4-yl]-1-(2-methyl-2,3-dihydro-indol-1-yl)-ethanone
CID 9800164
3-[4-(4-Chloro-benzyl)-piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 9820048
2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)-ethanone
CID 9843031

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-ethyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-ethyl-3,4-dihydroquinolin-2-one (CID 10045525) is 3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-ethyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-ethyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-ethyl-3,4-dihydroquinolin-2-one is CCN1C(=O)C(N2CCN(Cc3ccc(Cl)cc3)CC2)Cc2ccccc21.
What is the InChIKey of 3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-ethyl-3,4-dihydroquinolin-2-one?
The InChIKey is BZWQAKCTTBOIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O/c1-2-26-20-6-4-3-5-18(20)15-21(22(26)27)25-13-11-24(12-14-25)16-17-7-9-19(23)10-8-17/h3-10,21H,2,11-16H2,1H3.
What are the key properties of 3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-ethyl-3,4-dihydroquinolin-2-one?
3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-ethyl-3,4-dihydroquinolin-2-one has a molecular weight of 383.92 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-ethyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 10045525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).