6-bromo-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]hexanamide

C21H29BrN4O — CID 90005472

IUPAC6-bromo-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]hexanamide
SMILESCc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)CCCCCBr)cc12
InChIInChI=1S/C21H29BrN4O/c1-16-14-20(26-12-10-25(2)11-13-26)24-19-8-7-17(15-18(16)19)23-21(27)6-4-3-5-9-22/h7-8,14-15H,3-6,9-13H2,1-2H3,(H,23,27)
InChIKeyZGZHOQILRJGETI-UHFFFAOYSA-N
MW433.39 g/mol
LogP4.19
Rot. Bonds7

About 6-bromo-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]hexanamide

6-bromo-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]hexanamide (PubChem CID 90005472) has the molecular formula C21H29BrN4O and a molecular weight of 433.39 g/mol. Its IUPAC name is 6-bromo-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]hexanamide.

Molecular Properties

Compound Name6-bromo-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]hexanamide
PubChem CID90005472
Molecular FormulaC21H29BrN4O
Molecular Weight433.39 g/mol
Exact Mass432.15
IUPAC Name6-bromo-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]hexanamide
SMILESCc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)CCCCCBr)cc12
InChIInChI=1S/C21H29BrN4O/c1-16-14-20(26-12-10-25(2)11-13-26)24-19-8-7-17(15-18(16)19)23-21(27)6-4-3-5-9-22/h7-8,14-15H,3-6,9-13H2,1-2H3,(H,23,27)
InChIKeyZGZHOQILRJGETI-UHFFFAOYSA-N
XLogP4.19
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.39
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethoxyphenyl)-N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]butanediamide
CID 22427017
N-(3-ethoxypropyl)-N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]butanediamide
CID 22427036
1-(4-bromophenyl)-3-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]urea
CID 46280031
N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-N-(oxolan-2-ylmethyl)butanediamide
CID 22427010
N'-(5-chloro-2-methoxyphenyl)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]butanediamide
CID 22427000
N-[(2-ethoxyphenyl)methyl]-N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]butanediamide
CID 122174501
N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-4-oxo-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butanamide
CID 46246198
N-(4-fluorophenyl)-N'-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]butanediamide
CID 15995206
N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]butanediamide
CID 46503375
N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]-4-oxo-4-[4-(trideuteriomethyl)piperazin-1-yl]butanamide
CID 169443729
N'-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]butanediamide
CID 22334469
N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide
CID 46364144

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]hexanamide?
The IUPAC name of 6-bromo-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]hexanamide (CID 90005472) is 6-bromo-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]hexanamide.
What is the SMILES notation for 6-bromo-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]hexanamide?
The canonical SMILES for 6-bromo-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]hexanamide is Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)CCCCCBr)cc12.
What is the InChIKey of 6-bromo-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]hexanamide?
The InChIKey is ZGZHOQILRJGETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29BrN4O/c1-16-14-20(26-12-10-25(2)11-13-26)24-19-8-7-17(15-18(16)19)23-21(27)6-4-3-5-9-22/h7-8,14-15H,3-6,9-13H2,1-2H3,(H,23,27).
What are the key properties of 6-bromo-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]hexanamide?
6-bromo-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]hexanamide has a molecular weight of 433.39 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]hexanamide is sourced from PubChem (CID 90005472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).