N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide;trihydrochloride

C23H33Cl3N4O — CID 120983095

IUPACN-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide;trihydrochloride
SMILESCN(CCN1CCN(c2ccccc2)CC1)C(=O)c1cccc2c1CCCN2.Cl.Cl.Cl
InChIInChI=1S/C23H30N4O.3ClH/c1-25(23(28)21-9-5-11-22-20(21)10-6-12-24-22)13-14-26-15-17-27(18-16-26)19-7-3-2-4-8-19;;;/h2-5,7-9,11,24H,6,10,12-18H2,1H3;3*1H
InChIKeyBQFYEUKZDGIFRH-UHFFFAOYSA-N
MW487.90 g/mol
LogP4.20
Rot. Bonds5

About N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide;trihydrochloride

N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide;trihydrochloride (PubChem CID 120983095) has the molecular formula C23H33Cl3N4O and a molecular weight of 487.90 g/mol. Its IUPAC name is N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide;trihydrochloride.

Molecular Properties

Compound NameN-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide;trihydrochloride
PubChem CID120983095
Molecular FormulaC23H33Cl3N4O
Molecular Weight487.90 g/mol
Exact Mass486.17
IUPAC NameN-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide;trihydrochloride
SMILESCN(CCN1CCN(c2ccccc2)CC1)C(=O)c1cccc2c1CCCN2.Cl.Cl.Cl
InChIInChI=1S/C23H30N4O.3ClH/c1-25(23(28)21-9-5-11-22-20(21)10-6-12-24-22)13-14-26-15-17-27(18-16-26)19-7-3-2-4-8-19;;;/h2-5,7-9,11,24H,6,10,12-18H2,1H3;3*1H
InChIKeyBQFYEUKZDGIFRH-UHFFFAOYSA-N
XLogP4.20
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.90
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide;trihydrochloride with MolForge

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Related Compounds

N-(2-hydroxyethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850061
N-methyl-N-propyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62848998
N-(2-ethoxyethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 81055211
N-(2-hydroxypropyl)-N-methyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850263
(4-propylpiperazin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 62849338
2-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide;trihydrochloride
CID 119903413
N-(3-hydroxyphenyl)-N-methyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 107734701
(2S)-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide
CID 122081644
N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850406
(4-ethylpiperazin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 62849515
N-butyl-N-ethyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 55126978
1-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]cyclopropane-1-carboxamide
CID 119903379

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide;trihydrochloride?
The IUPAC name of N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide;trihydrochloride (CID 120983095) is N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide;trihydrochloride.
What is the SMILES notation for N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide;trihydrochloride?
The canonical SMILES for N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide;trihydrochloride is CN(CCN1CCN(c2ccccc2)CC1)C(=O)c1cccc2c1CCCN2.Cl.Cl.Cl.
What is the InChIKey of N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide;trihydrochloride?
The InChIKey is BQFYEUKZDGIFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O.3ClH/c1-25(23(28)21-9-5-11-22-20(21)10-6-12-24-22)13-14-26-15-17-27(18-16-26)19-7-3-2-4-8-19;;;/h2-5,7-9,11,24H,6,10,12-18H2,1H3;3*1H.
What are the key properties of N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide;trihydrochloride?
N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide;trihydrochloride has a molecular weight of 487.90 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide;trihydrochloride is sourced from PubChem (CID 120983095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).