4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(3,5-dimethoxyphenyl)-6-methylpyrimidin-2-amine

C26H27ClN6O2 — CID 127052761

IUPAC4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(3,5-dimethoxyphenyl)-6-methylpyrimidin-2-amine
SMILESCOc1cc(Nc2nc(C)cc(N3CCN(c4ccnc5cc(Cl)ccc45)CC3)n2)cc(OC)c1
InChIInChI=1S/C26H27ClN6O2/c1-17-12-25(31-26(29-17)30-19-14-20(34-2)16-21(15-19)35-3)33-10-8-32(9-11-33)24-6-7-28-23-13-18(27)4-5-22(23)24/h4-7,12-16H,8-11H2,1-3H3,(H,29,30,31)
InChIKeyHKZWBSTXVACJHW-UHFFFAOYSA-N
MW491.00 g/mol
LogP5.07
Rot. Bonds6

About 4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(3,5-dimethoxyphenyl)-6-methylpyrimidin-2-amine

4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(3,5-dimethoxyphenyl)-6-methylpyrimidin-2-amine (PubChem CID 127052761) has the molecular formula C26H27ClN6O2 and a molecular weight of 491.00 g/mol. Its IUPAC name is 4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(3,5-dimethoxyphenyl)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(3,5-dimethoxyphenyl)-6-methylpyrimidin-2-amine
PubChem CID127052761
Molecular FormulaC26H27ClN6O2
Molecular Weight491.00 g/mol
Exact Mass490.19
IUPAC Name4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(3,5-dimethoxyphenyl)-6-methylpyrimidin-2-amine
SMILESCOc1cc(Nc2nc(C)cc(N3CCN(c4ccnc5cc(Cl)ccc45)CC3)n2)cc(OC)c1
InChIInChI=1S/C26H27ClN6O2/c1-17-12-25(31-26(29-17)30-19-14-20(34-2)16-21(15-19)35-3)33-10-8-32(9-11-33)24-6-7-28-23-13-18(27)4-5-22(23)24/h4-7,12-16H,8-11H2,1-3H3,(H,29,30,31)
InChIKeyHKZWBSTXVACJHW-UHFFFAOYSA-N
XLogP5.07
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.00
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(3,5-dimethoxyphenyl)-6-methylpyrimidin-2-amine with MolForge

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Related Compounds

4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)-6-methylpyrimidin-2-amine
CID 127051589
4-[4-(7-chloro-8-methoxyquinolin-4-yl)piperazin-1-yl]-N-(3,5-dimethoxyphenyl)-6-methylpyrimidin-2-amine
CID 177306305
buta-1,3-diene;4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-2-amine
CID 170974284
4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(2,6-difluorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 170974361
N-[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-(hydroxyamino)ethylidene]-3,5-dimethoxybenzamide
CID 146279274
7-chloro-4-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]quinoline
CID 31408699
1-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-3-(4-methoxyphenyl)-1-sulfanylurea
CID 87694987
N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-3-methoxybenzamide
CID 24830372
N-(4-methoxyphenyl)-2-[4-(7-methylquinolin-4-yl)piperazin-1-yl]pyrimidin-4-amine
CID 123219262
7-chloro-4-[4-[3-[4-[3-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]quinoline
CID 11840452
7-chloro-N-(3-methoxyphenyl)quinolin-4-amine
CID 50877151
N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]acetamide
CID 49431104

Frequently Asked Questions

What is the IUPAC name of 4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(3,5-dimethoxyphenyl)-6-methylpyrimidin-2-amine?
The IUPAC name of 4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(3,5-dimethoxyphenyl)-6-methylpyrimidin-2-amine (CID 127052761) is 4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(3,5-dimethoxyphenyl)-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(3,5-dimethoxyphenyl)-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(3,5-dimethoxyphenyl)-6-methylpyrimidin-2-amine is COc1cc(Nc2nc(C)cc(N3CCN(c4ccnc5cc(Cl)ccc45)CC3)n2)cc(OC)c1.
What is the InChIKey of 4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(3,5-dimethoxyphenyl)-6-methylpyrimidin-2-amine?
The InChIKey is HKZWBSTXVACJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN6O2/c1-17-12-25(31-26(29-17)30-19-14-20(34-2)16-21(15-19)35-3)33-10-8-32(9-11-33)24-6-7-28-23-13-18(27)4-5-22(23)24/h4-7,12-16H,8-11H2,1-3H3,(H,29,30,31).
What are the key properties of 4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(3,5-dimethoxyphenyl)-6-methylpyrimidin-2-amine?
4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(3,5-dimethoxyphenyl)-6-methylpyrimidin-2-amine has a molecular weight of 491.00 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(3,5-dimethoxyphenyl)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 127052761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).