N-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide

C15H22N4O — CID 83015501

IUPACN-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESCN1CCN(NC(=O)c2ccc3c(c2)CCCN3)CC1
InChIInChI=1S/C15H22N4O/c1-18-7-9-19(10-8-18)17-15(20)13-4-5-14-12(11-13)3-2-6-16-14/h4-5,11,16H,2-3,6-10H2,1H3,(H,17,20)
InChIKeyAHWBIAMUGPRUSZ-UHFFFAOYSA-N
MW274.37 g/mol
LogP0.94
Rot. Bonds2

About N-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide

N-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide (PubChem CID 83015501) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
PubChem CID83015501
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESCN1CCN(NC(=O)c2ccc3c(c2)CCCN3)CC1
InChIInChI=1S/C15H22N4O/c1-18-7-9-19(10-8-18)17-15(20)13-4-5-14-12(11-13)3-2-6-16-14/h4-5,11,16H,2-3,6-10H2,1H3,(H,17,20)
InChIKeyAHWBIAMUGPRUSZ-UHFFFAOYSA-N
XLogP0.94
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylpiperazin-1-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one
CID 93191629
N-(4-methylpiperazin-1-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 102712665
1,2,3,4-tetrahydroquinoline-6-carboxylic acid;hydrochloride
CID 50988785
N-carbamoyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 79194659
(2R)-3-methyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid
CID 79009724
(2S)-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid
CID 78967710
4-[(4-methylpiperazin-1-yl)carbamoyl]benzoic acid
CID 83023034
N-(4,6-dimethylpyrimidin-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43325681
2,2-dimethyl-3-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid
CID 115427981
N-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 60926593
N-(3-hydroxy-2,2-dimethylpropyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 115360312
N-(1H-pyrazol-5-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 61284513

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The IUPAC name of N-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide (CID 83015501) is N-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide.
What is the SMILES notation for N-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The canonical SMILES for N-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide is CN1CCN(NC(=O)c2ccc3c(c2)CCCN3)CC1.
What is the InChIKey of N-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The InChIKey is AHWBIAMUGPRUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-18-7-9-19(10-8-18)17-15(20)13-4-5-14-12(11-13)3-2-6-16-14/h4-5,11,16H,2-3,6-10H2,1H3,(H,17,20).
What are the key properties of N-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
N-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide has a molecular weight of 274.37 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide is sourced from PubChem (CID 83015501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).