N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide;trihydrochloride

C23H33Cl3N4O2 — CID 120983099

IUPACN-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide;trihydrochloride
SMILESCN1CCN(CCOc2ccc(NC(=O)c3cccc4c3CCCN4)cc2)CC1.Cl.Cl.Cl
InChIInChI=1S/C23H30N4O2.3ClH/c1-26-12-14-27(15-13-26)16-17-29-19-9-7-18(8-10-19)25-23(28)21-4-2-6-22-20(21)5-3-11-24-22;;;/h2,4,6-10,24H,3,5,11-17H2,1H3,(H,25,28);3*1H
InChIKeyTVCVDLJPKZGLLF-UHFFFAOYSA-N
MW503.90 g/mol
LogP4.19
Rot. Bonds6

About N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide;trihydrochloride

N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide;trihydrochloride (PubChem CID 120983099) has the molecular formula C23H33Cl3N4O2 and a molecular weight of 503.90 g/mol. Its IUPAC name is N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide;trihydrochloride.

Molecular Properties

Compound NameN-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide;trihydrochloride
PubChem CID120983099
Molecular FormulaC23H33Cl3N4O2
Molecular Weight503.90 g/mol
Exact Mass502.17
IUPAC NameN-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide;trihydrochloride
SMILESCN1CCN(CCOc2ccc(NC(=O)c3cccc4c3CCCN4)cc2)CC1.Cl.Cl.Cl
InChIInChI=1S/C23H30N4O2.3ClH/c1-26-12-14-27(15-13-26)16-17-29-19-9-7-18(8-10-19)25-23(28)21-4-2-6-22-20(21)5-3-11-24-22;;;/h2,4,6-10,24H,3,5,11-17H2,1H3,(H,25,28);3*1H
InChIKeyTVCVDLJPKZGLLF-UHFFFAOYSA-N
XLogP4.19
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.90
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide;trihydrochloride with MolForge

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Related Compounds

N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 120983084
N-(4-methylphenyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850225
N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 120983080
2-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propanamide
CID 71993662
(2R)-2-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propanamide
CID 119903586
3-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]but-2-enamide
CID 71993668
4-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pentanamide;trihydrochloride
CID 120566066
2-nitro-N-[4-(2-piperidin-1-ylethoxy)phenyl]benzamide
CID 141275172
N-butan-2-yl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 55127073
5-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 155955431
(4-ethylpiperazin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 62849515
5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 11562287

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide;trihydrochloride?
The IUPAC name of N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide;trihydrochloride (CID 120983099) is N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide;trihydrochloride.
What is the SMILES notation for N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide;trihydrochloride?
The canonical SMILES for N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide;trihydrochloride is CN1CCN(CCOc2ccc(NC(=O)c3cccc4c3CCCN4)cc2)CC1.Cl.Cl.Cl.
What is the InChIKey of N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide;trihydrochloride?
The InChIKey is TVCVDLJPKZGLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2.3ClH/c1-26-12-14-27(15-13-26)16-17-29-19-9-7-18(8-10-19)25-23(28)21-4-2-6-22-20(21)5-3-11-24-22;;;/h2,4,6-10,24H,3,5,11-17H2,1H3,(H,25,28);3*1H.
What are the key properties of N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide;trihydrochloride?
N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide;trihydrochloride has a molecular weight of 503.90 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide;trihydrochloride is sourced from PubChem (CID 120983099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).