2-(6-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

C23H24N6O3S — CID 24951971

IUPAC2-(6-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc2c(c1)CCN(c1nc(C(=O)Nc3cnccc3N3CCNCC3)cs1)C2=O
InChIInChI=1S/C23H24N6O3S/c1-32-16-2-3-17-15(12-16)5-9-29(22(17)31)23-27-19(14-33-23)21(30)26-18-13-25-6-4-20(18)28-10-7-24-8-11-28/h2-4,6,12-14,24H,5,7-11H2,1H3,(H,26,30)
InChIKeyMGXLBQMRQOHRHI-UHFFFAOYSA-N
MW464.55 g/mol
LogP2.41
Rot. Bonds5

About 2-(6-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

2-(6-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 24951971) has the molecular formula C23H24N6O3S and a molecular weight of 464.55 g/mol. Its IUPAC name is 2-(6-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(6-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID24951971
Molecular FormulaC23H24N6O3S
Molecular Weight464.55 g/mol
Exact Mass464.16
IUPAC Name2-(6-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc2c(c1)CCN(c1nc(C(=O)Nc3cnccc3N3CCNCC3)cs1)C2=O
InChIInChI=1S/C23H24N6O3S/c1-32-16-2-3-17-15(12-16)5-9-29(22(17)31)23-27-19(14-33-23)21(30)26-18-13-25-6-4-20(18)28-10-7-24-8-11-28/h2-4,6,12-14,24H,5,7-11H2,1H3,(H,26,30)
InChIKeyMGXLBQMRQOHRHI-UHFFFAOYSA-N
XLogP2.41
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(6-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (CID 24951971) is 2-(6-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(6-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(6-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is COc1ccc2c(c1)CCN(c1nc(C(=O)Nc3cnccc3N3CCNCC3)cs1)C2=O.
What is the InChIKey of 2-(6-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is MGXLBQMRQOHRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3S/c1-32-16-2-3-17-15(12-16)5-9-29(22(17)31)23-27-19(14-33-23)21(30)26-18-13-25-6-4-20(18)28-10-7-24-8-11-28/h2-4,6,12-14,24H,5,7-11H2,1H3,(H,26,30).
What are the key properties of 2-(6-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
2-(6-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 464.55 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 24951971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).