2-(6,7-dimethoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

C24H26N6O4S — CID 24951611

IUPAC2-(6,7-dimethoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCOc1cc2c(cc1OC)C(=O)N(c1nc(C(=O)Nc3cnccc3N3CCNCC3)cs1)CC2
InChIInChI=1S/C24H26N6O4S/c1-33-20-11-15-4-8-30(23(32)16(15)12-21(20)34-2)24-28-18(14-35-24)22(31)27-17-13-26-5-3-19(17)29-9-6-25-7-10-29/h3,5,11-14,25H,4,6-10H2,1-2H3,(H,27,31)
InChIKeyOETKTXNNDWCXEC-UHFFFAOYSA-N
MW494.58 g/mol
LogP2.42
Rot. Bonds6

About 2-(6,7-dimethoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

2-(6,7-dimethoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 24951611) has the molecular formula C24H26N6O4S and a molecular weight of 494.58 g/mol. Its IUPAC name is 2-(6,7-dimethoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(6,7-dimethoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID24951611
Molecular FormulaC24H26N6O4S
Molecular Weight494.58 g/mol
Exact Mass494.17
IUPAC Name2-(6,7-dimethoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCOc1cc2c(cc1OC)C(=O)N(c1nc(C(=O)Nc3cnccc3N3CCNCC3)cs1)CC2
InChIInChI=1S/C24H26N6O4S/c1-33-20-11-15-4-8-30(23(32)16(15)12-21(20)34-2)24-28-18(14-35-24)22(31)27-17-13-26-5-3-19(17)29-9-6-25-7-10-29/h3,5,11-14,25H,4,6-10H2,1-2H3,(H,27,31)
InChIKeyOETKTXNNDWCXEC-UHFFFAOYSA-N
XLogP2.42
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.58
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(6,7-dimethoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (CID 24951611) is 2-(6,7-dimethoxy-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-(6,7-dimethoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(6,7-dimethoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is COc1cc2c(cc1OC)C(=O)N(c1nc(C(=O)Nc3cnccc3N3CCNCC3)cs1)CC2.
What is the InChIKey of 2-(6,7-dimethoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is OETKTXNNDWCXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O4S/c1-33-20-11-15-4-8-30(23(32)16(15)12-21(20)34-2)24-28-18(14-35-24)22(31)27-17-13-26-5-3-19(17)29-9-6-25-7-10-29/h3,5,11-14,25H,4,6-10H2,1-2H3,(H,27,31).
What are the key properties of 2-(6,7-dimethoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
2-(6,7-dimethoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 494.58 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 24951611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).