4-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-1-methylquinolin-2-one

C23H24ClN3O2 — CID 55761742

IUPAC4-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-1-methylquinolin-2-one
SMILESCC(c1ccccc1Cl)N1CCN(C(=O)c2cc(=O)n(C)c3ccccc23)CC1
InChIInChI=1S/C23H24ClN3O2/c1-16(17-7-3-5-9-20(17)24)26-11-13-27(14-12-26)23(29)19-15-22(28)25(2)21-10-6-4-8-18(19)21/h3-10,15-16H,11-14H2,1-2H3
InChIKeyRCRHAVATQYDHIO-UHFFFAOYSA-N
MW409.92 g/mol
LogP3.71
Rot. Bonds3

About 4-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-1-methylquinolin-2-one

4-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-1-methylquinolin-2-one (PubChem CID 55761742) has the molecular formula C23H24ClN3O2 and a molecular weight of 409.92 g/mol. Its IUPAC name is 4-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-1-methylquinolin-2-one.

Molecular Properties

Compound Name4-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-1-methylquinolin-2-one
PubChem CID55761742
Molecular FormulaC23H24ClN3O2
Molecular Weight409.92 g/mol
Exact Mass409.16
IUPAC Name4-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-1-methylquinolin-2-one
SMILESCC(c1ccccc1Cl)N1CCN(C(=O)c2cc(=O)n(C)c3ccccc23)CC1
InChIInChI=1S/C23H24ClN3O2/c1-16(17-7-3-5-9-20(17)24)26-11-13-27(14-12-26)23(29)19-15-22(28)25(2)21-10-6-4-8-18(19)21/h3-10,15-16H,11-14H2,1-2H3
InChIKeyRCRHAVATQYDHIO-UHFFFAOYSA-N
XLogP3.71
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-chlorophenyl)-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone
CID 55362493
2-[4-(1-methyl-2-oxoquinoline-4-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 55759278
1-methyl-4-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carbonyl]quinolin-2-one
CID 55829532
4-[4-(3-chlorophenyl)sulfonylpiperazine-1-carbonyl]-1-methylquinolin-2-one
CID 55754602
1-methyl-4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]quinolin-2-one
CID 55755455
(4-chloro-2-nitrophenyl)-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone
CID 46579760
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-methylquinolin-2-one
CID 110694493
1-methyl-4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)quinolin-2-one
CID 46979096
[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 46579668
4-[(3S)-3-aminoazepane-1-carbonyl]-1-methylquinolin-2-one
CID 96574654
N-[1-(2,4-dichlorophenyl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55758083
[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(2-methyl-3-nitrophenyl)methanone
CID 46579613

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-1-methylquinolin-2-one?
The IUPAC name of 4-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-1-methylquinolin-2-one (CID 55761742) is 4-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-1-methylquinolin-2-one.
What is the SMILES notation for 4-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-1-methylquinolin-2-one?
The canonical SMILES for 4-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-1-methylquinolin-2-one is CC(c1ccccc1Cl)N1CCN(C(=O)c2cc(=O)n(C)c3ccccc23)CC1.
What is the InChIKey of 4-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-1-methylquinolin-2-one?
The InChIKey is RCRHAVATQYDHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O2/c1-16(17-7-3-5-9-20(17)24)26-11-13-27(14-12-26)23(29)19-15-22(28)25(2)21-10-6-4-8-18(19)21/h3-10,15-16H,11-14H2,1-2H3.
What are the key properties of 4-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-1-methylquinolin-2-one?
4-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-1-methylquinolin-2-one has a molecular weight of 409.92 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-1-methylquinolin-2-one is sourced from PubChem (CID 55761742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).