N-(6-methoxyisoquinolin-8-yl)-4-(4-methylpiperazin-1-yl)benzamide

C22H24N4O2 — CID 171512836

IUPACN-(6-methoxyisoquinolin-8-yl)-4-(4-methylpiperazin-1-yl)benzamide
SMILESCOc1cc(NC(=O)c2ccc(N3CCN(C)CC3)cc2)c2cnccc2c1
InChIInChI=1S/C22H24N4O2/c1-25-9-11-26(12-10-25)18-5-3-16(4-6-18)22(27)24-21-14-19(28-2)13-17-7-8-23-15-20(17)21/h3-8,13-15H,9-12H2,1-2H3,(H,24,27)
InChIKeyHCXJXQPHAQINPE-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.25
Rot. Bonds4

About N-(6-methoxyisoquinolin-8-yl)-4-(4-methylpiperazin-1-yl)benzamide

N-(6-methoxyisoquinolin-8-yl)-4-(4-methylpiperazin-1-yl)benzamide (PubChem CID 171512836) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(6-methoxyisoquinolin-8-yl)-4-(4-methylpiperazin-1-yl)benzamide.

Molecular Properties

Compound NameN-(6-methoxyisoquinolin-8-yl)-4-(4-methylpiperazin-1-yl)benzamide
PubChem CID171512836
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-(6-methoxyisoquinolin-8-yl)-4-(4-methylpiperazin-1-yl)benzamide
SMILESCOc1cc(NC(=O)c2ccc(N3CCN(C)CC3)cc2)c2cnccc2c1
InChIInChI=1S/C22H24N4O2/c1-25-9-11-26(12-10-25)18-5-3-16(4-6-18)22(27)24-21-14-19(28-2)13-17-7-8-23-15-20(17)21/h3-8,13-15H,9-12H2,1-2H3,(H,24,27)
InChIKeyHCXJXQPHAQINPE-UHFFFAOYSA-N
XLogP3.25
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(4-methoxybenzoyl)amino]-3-[[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino]phenyl] 4-methoxybenzoate
CID 56850259
N-[3-hydroxy-2-[(4-methoxybenzoyl)amino]phenyl]-4-(4-methyl-1,4-diazepan-1-yl)benzamide
CID 59017240
N-[2-methoxy-6-[(4-methoxybenzoyl)amino]phenyl]-4-(4-methyl-1,4-diazepan-1-yl)benzamide
CID 12972261
N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide;hydrochloride
CID 110756617
methyl 3-[(4-methoxybenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoate
CID 6456963
2-[isoquinolin-6-yl(methyl)amino]-5-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1,3-thiazole-4-carboxamide
CID 118067687
N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 55788275
methyl 4-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]benzoate
CID 30857065
6-methoxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
CID 18127997
4-methoxy-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983942
N-[6-(2-fluoro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 154827116
N-(2-amino-5-methylphenyl)-4-(4-methylpiperazin-1-yl)benzamide
CID 59737553

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxyisoquinolin-8-yl)-4-(4-methylpiperazin-1-yl)benzamide?
The IUPAC name of N-(6-methoxyisoquinolin-8-yl)-4-(4-methylpiperazin-1-yl)benzamide (CID 171512836) is N-(6-methoxyisoquinolin-8-yl)-4-(4-methylpiperazin-1-yl)benzamide.
What is the SMILES notation for N-(6-methoxyisoquinolin-8-yl)-4-(4-methylpiperazin-1-yl)benzamide?
The canonical SMILES for N-(6-methoxyisoquinolin-8-yl)-4-(4-methylpiperazin-1-yl)benzamide is COc1cc(NC(=O)c2ccc(N3CCN(C)CC3)cc2)c2cnccc2c1.
What is the InChIKey of N-(6-methoxyisoquinolin-8-yl)-4-(4-methylpiperazin-1-yl)benzamide?
The InChIKey is HCXJXQPHAQINPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-25-9-11-26(12-10-25)18-5-3-16(4-6-18)22(27)24-21-14-19(28-2)13-17-7-8-23-15-20(17)21/h3-8,13-15H,9-12H2,1-2H3,(H,24,27).
What are the key properties of N-(6-methoxyisoquinolin-8-yl)-4-(4-methylpiperazin-1-yl)benzamide?
N-(6-methoxyisoquinolin-8-yl)-4-(4-methylpiperazin-1-yl)benzamide has a molecular weight of 376.46 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxyisoquinolin-8-yl)-4-(4-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 171512836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).