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

C23H30N4O — CID 120983080

IUPACN-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
SMILESCN1CCN(Cc2ccc(CNC(=O)c3cccc4c3CCCN4)cc2)CC1
InChIInChI=1S/C23H30N4O/c1-26-12-14-27(15-13-26)17-19-9-7-18(8-10-19)16-25-23(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)
InChIKeyDAHWCAVGSSHJLZ-UHFFFAOYSA-N
MW378.52 g/mol
LogP2.72
Rot. Bonds5

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

N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide (PubChem CID 120983080) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide.

Molecular Properties

Compound NameN-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
PubChem CID120983080
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC NameN-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
SMILESCN1CCN(Cc2ccc(CNC(=O)c3cccc4c3CCCN4)cc2)CC1
InChIInChI=1S/C23H30N4O/c1-26-12-14-27(15-13-26)17-19-9-7-18(8-10-19)16-25-23(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)
InChIKeyDAHWCAVGSSHJLZ-UHFFFAOYSA-N
XLogP2.72
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide 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-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850085
N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide;trihydrochloride
CID 120983099
N-[(4-methylmorpholin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 79082124
N-pentyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850400
N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850406
5-amino-2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]benzamide
CID 120647867
N-[[1-(dimethylamino)cyclobutyl]methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 105417100
N-(2,2-difluoroethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 113303798
N-butan-2-yl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 55127073
N-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 55127025
6-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 28776130

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The IUPAC name of N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide (CID 120983080) is N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide.
What is the SMILES notation for N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The canonical SMILES for N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide is CN1CCN(Cc2ccc(CNC(=O)c3cccc4c3CCCN4)cc2)CC1.
What is the InChIKey of N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The InChIKey is DAHWCAVGSSHJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-26-12-14-27(15-13-26)17-19-9-7-18(8-10-19)16-25-23(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).
What are the key properties of N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide?
N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide is sourced from PubChem (CID 120983080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).