2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;dihydrochloride

C23H30Cl2N4O2 — CID 120646636

IUPAC2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;dihydrochloride
SMILESCc1ccc(N)cc1C(=O)N1CCN(CC(=O)N2CCCc3ccccc32)CC1.Cl.Cl
InChIInChI=1S/C23H28N4O2.2ClH/c1-17-8-9-19(24)15-20(17)23(29)26-13-11-25(12-14-26)16-22(28)27-10-4-6-18-5-2-3-7-21(18)27;;/h2-3,5,7-9,15H,4,6,10-14,16,24H2,1H3;2*1H
InChIKeyRWADOOVHNWGLRG-UHFFFAOYSA-N
MW465.43 g/mol
LogP3.16
Rot. Bonds3

About 2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;dihydrochloride

2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;dihydrochloride (PubChem CID 120646636) has the molecular formula C23H30Cl2N4O2 and a molecular weight of 465.43 g/mol. Its IUPAC name is 2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;dihydrochloride.

Molecular Properties

Compound Name2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;dihydrochloride
PubChem CID120646636
Molecular FormulaC23H30Cl2N4O2
Molecular Weight465.43 g/mol
Exact Mass464.17
IUPAC Name2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;dihydrochloride
SMILESCc1ccc(N)cc1C(=O)N1CCN(CC(=O)N2CCCc3ccccc32)CC1.Cl.Cl
InChIInChI=1S/C23H28N4O2.2ClH/c1-17-8-9-19(24)15-20(17)23(29)26-13-11-25(12-14-26)16-22(28)27-10-4-6-18-5-2-3-7-21(18)27;;/h2-3,5,7-9,15H,4,6,10-14,16,24H2,1H3;2*1H
InChIKeyRWADOOVHNWGLRG-UHFFFAOYSA-N
XLogP3.16
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 120640613
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 858988
1-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]prop-2-en-1-one
CID 166406128
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-ethylpiperazin-1-yl)ethanone
CID 78789991
4-amino-1-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]butan-1-one
CID 119883298
2-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 119883288
4-amino-1-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]pentan-1-one
CID 120565523
(5-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 61289642
(5-amino-2-methylphenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 61290980
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone
CID 166199749
(5-bromo-2-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 65307202
(5-amino-2-methylphenyl)-[4-(2-chlorophenyl)piperazin-1-yl]methanone
CID 120639418

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;dihydrochloride?
The IUPAC name of 2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;dihydrochloride (CID 120646636) is 2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;dihydrochloride.
What is the SMILES notation for 2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;dihydrochloride?
The canonical SMILES for 2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;dihydrochloride is Cc1ccc(N)cc1C(=O)N1CCN(CC(=O)N2CCCc3ccccc32)CC1.Cl.Cl.
What is the InChIKey of 2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;dihydrochloride?
The InChIKey is RWADOOVHNWGLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2.2ClH/c1-17-8-9-19(24)15-20(17)23(29)26-13-11-25(12-14-26)16-22(28)27-10-4-6-18-5-2-3-7-21(18)27;;/h2-3,5,7-9,15H,4,6,10-14,16,24H2,1H3;2*1H.
What are the key properties of 2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;dihydrochloride?
2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;dihydrochloride has a molecular weight of 465.43 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;dihydrochloride is sourced from PubChem (CID 120646636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).