1-[6-[4-(2,3-dichlorophenyl)piperazine-1-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone

C22H23Cl2N3O2 — CID 171647739

IUPAC1-[6-[4-(2,3-dichlorophenyl)piperazine-1-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1CCCc2cc(C(=O)N3CCN(c4cccc(Cl)c4Cl)CC3)ccc21
InChIInChI=1S/C22H23Cl2N3O2/c1-15(28)27-9-3-4-16-14-17(7-8-19(16)27)22(29)26-12-10-25(11-13-26)20-6-2-5-18(23)21(20)24/h2,5-8,14H,3-4,9-13H2,1H3
InChIKeyJBHNRYJJHYAIKH-UHFFFAOYSA-N
MW432.35 g/mol
LogP4.25
Rot. Bonds2

About 1-[6-[4-(2,3-dichlorophenyl)piperazine-1-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone

1-[6-[4-(2,3-dichlorophenyl)piperazine-1-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 171647739) has the molecular formula C22H23Cl2N3O2 and a molecular weight of 432.35 g/mol. Its IUPAC name is 1-[6-[4-(2,3-dichlorophenyl)piperazine-1-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name1-[6-[4-(2,3-dichlorophenyl)piperazine-1-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
PubChem CID171647739
Molecular FormulaC22H23Cl2N3O2
Molecular Weight432.35 g/mol
Exact Mass431.12
IUPAC Name1-[6-[4-(2,3-dichlorophenyl)piperazine-1-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1CCCc2cc(C(=O)N3CCN(c4cccc(Cl)c4Cl)CC3)ccc21
InChIInChI=1S/C22H23Cl2N3O2/c1-15(28)27-9-3-4-16-14-17(7-8-19(16)27)22(29)26-12-10-25(11-13-26)20-6-2-5-18(23)21(20)24/h2,5-8,14H,3-4,9-13H2,1H3
InChIKeyJBHNRYJJHYAIKH-UHFFFAOYSA-N
XLogP4.25
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.35
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[6-[4-(2,3-dichlorophenyl)piperazine-1-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone with MolForge

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Related Compounds

1-[5-(4-phenylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 29264486
1-[5-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone
CID 39441168
1-[5-(4-cyclopentylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 134020729
1-[4-[2-chloro-3-(pyrrolidine-1-carbonyl)phenyl]piperazin-1-yl]ethanone
CID 145286557
[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 100770479
1-[6-[(2R,3S)-2,3-dimethylthiomorpholine-4-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 97224833
1-[6-[(2S,3S)-2,3-dimethylthiomorpholine-4-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 97224831
1-[5-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)-3,4-dihydro-2H-1,5-benzodiazepin-1-yl]ethanone
CID 126781800
[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 113076730
[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-(4-chlorophenyl)methanone
CID 113076731
(3-chloro-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 806851
1-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-(methylamino)ethanone
CID 82118496

Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-(2,3-dichlorophenyl)piperazine-1-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The IUPAC name of 1-[6-[4-(2,3-dichlorophenyl)piperazine-1-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 171647739) is 1-[6-[4-(2,3-dichlorophenyl)piperazine-1-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone.
What is the SMILES notation for 1-[6-[4-(2,3-dichlorophenyl)piperazine-1-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The canonical SMILES for 1-[6-[4-(2,3-dichlorophenyl)piperazine-1-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone is CC(=O)N1CCCc2cc(C(=O)N3CCN(c4cccc(Cl)c4Cl)CC3)ccc21.
What is the InChIKey of 1-[6-[4-(2,3-dichlorophenyl)piperazine-1-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The InChIKey is JBHNRYJJHYAIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N3O2/c1-15(28)27-9-3-4-16-14-17(7-8-19(16)27)22(29)26-12-10-25(11-13-26)20-6-2-5-18(23)21(20)24/h2,5-8,14H,3-4,9-13H2,1H3.
What are the key properties of 1-[6-[4-(2,3-dichlorophenyl)piperazine-1-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
1-[6-[4-(2,3-dichlorophenyl)piperazine-1-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 432.35 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[4-(2,3-dichlorophenyl)piperazine-1-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 171647739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).