3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-ethyl-6-methylquinolin-4-one

C23H24ClN3O2 — CID 30132092

IUPAC3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-ethyl-6-methylquinolin-4-one
SMILESCCn1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c(=O)c2cc(C)ccc21
InChIInChI=1S/C23H24ClN3O2/c1-3-25-15-20(22(28)19-13-16(2)7-8-21(19)25)23(29)27-11-9-26(10-12-27)18-6-4-5-17(24)14-18/h4-8,13-15H,3,9-12H2,1-2H3
InChIKeyDWOBQUVHCKRALB-UHFFFAOYSA-N
MW409.92 g/mol
LogP3.95
Rot. Bonds3

About 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-ethyl-6-methylquinolin-4-one

3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-ethyl-6-methylquinolin-4-one (PubChem CID 30132092) has the molecular formula C23H24ClN3O2 and a molecular weight of 409.92 g/mol. Its IUPAC name is 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-ethyl-6-methylquinolin-4-one.

Molecular Properties

Compound Name3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-ethyl-6-methylquinolin-4-one
PubChem CID30132092
Molecular FormulaC23H24ClN3O2
Molecular Weight409.92 g/mol
Exact Mass409.16
IUPAC Name3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-ethyl-6-methylquinolin-4-one
SMILESCCn1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c(=O)c2cc(C)ccc21
InChIInChI=1S/C23H24ClN3O2/c1-3-25-15-20(22(28)19-13-16(2)7-8-21(19)25)23(29)27-11-9-26(10-12-27)18-6-4-5-17(24)14-18/h4-8,13-15H,3,9-12H2,1-2H3
InChIKeyDWOBQUVHCKRALB-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(6-chloro-1-ethyl-4-oxoquinoline-3-carbonyl)-1,4-diazepan-1-yl]benzonitrile
CID 146087872
6-chloro-1-ethyl-3-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)quinolin-4-one
CID 154780525
3-(azepane-1-carbonyl)-5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-(2-methylpropyl)pyridin-4-one
CID 42485215
[4-(3-chlorophenyl)piperazin-1-yl]-(1-ethylpyrazol-4-yl)methanone
CID 35295381
1-ethyl-5-methylindole-3-carboxylic acid
CID 52911028
ethyl 4-(3-chlorophenyl)piperazine-1-carboxylate
CID 3591480
(1-methylindol-3-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 27041838
6-chloro-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethylquinolin-4-one
CID 39851482
3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one
CID 110692830
(2,4-dimethylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 18120424
(4-chloro-2-fluorophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 8967500
ethyl 4-(1-ethyl-4-oxo-6-pyrrolidin-1-ylsulfonylquinoline-3-carbonyl)piperazine-1-carboxylate
CID 3238877

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-ethyl-6-methylquinolin-4-one?
The IUPAC name of 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-ethyl-6-methylquinolin-4-one (CID 30132092) is 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-ethyl-6-methylquinolin-4-one.
What is the SMILES notation for 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-ethyl-6-methylquinolin-4-one?
The canonical SMILES for 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-ethyl-6-methylquinolin-4-one is CCn1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c(=O)c2cc(C)ccc21.
What is the InChIKey of 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-ethyl-6-methylquinolin-4-one?
The InChIKey is DWOBQUVHCKRALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O2/c1-3-25-15-20(22(28)19-13-16(2)7-8-21(19)25)23(29)27-11-9-26(10-12-27)18-6-4-5-17(24)14-18/h4-8,13-15H,3,9-12H2,1-2H3.
What are the key properties of 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-ethyl-6-methylquinolin-4-one?
3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-ethyl-6-methylquinolin-4-one has a molecular weight of 409.92 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-ethyl-6-methylquinolin-4-one is sourced from PubChem (CID 30132092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).