7-[[[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)methylamino]pyrazin-2-yl]amino]methyl]-3,4-dihydro-2H-isoquinolin-1-one

C24H24N6O2 — CID 166216360

IUPAC7-[[[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)methylamino]pyrazin-2-yl]amino]methyl]-3,4-dihydro-2H-isoquinolin-1-one
SMILESO=C1NCCc2ccc(CNc3nccnc3NCc3ccc4c(c3)C(=O)NCC4)cc21
InChIInChI=1S/C24H24N6O2/c31-23-19-11-15(1-3-17(19)5-7-27-23)13-29-21-22(26-10-9-25-21)30-14-16-2-4-18-6-8-28-24(32)20(18)12-16/h1-4,9-12H,5-8,13-14H2,(H,25,29)(H,26,30)(H,27,31)(H,28,32)
InChIKeyGPWDZCQPARBVOK-UHFFFAOYSA-N
MW428.50 g/mol
LogP2.27
Rot. Bonds6

About 7-[[[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)methylamino]pyrazin-2-yl]amino]methyl]-3,4-dihydro-2H-isoquinolin-1-one

7-[[[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)methylamino]pyrazin-2-yl]amino]methyl]-3,4-dihydro-2H-isoquinolin-1-one (PubChem CID 166216360) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 7-[[[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)methylamino]pyrazin-2-yl]amino]methyl]-3,4-dihydro-2H-isoquinolin-1-one.

Molecular Properties

Compound Name7-[[[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)methylamino]pyrazin-2-yl]amino]methyl]-3,4-dihydro-2H-isoquinolin-1-one
PubChem CID166216360
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name7-[[[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)methylamino]pyrazin-2-yl]amino]methyl]-3,4-dihydro-2H-isoquinolin-1-one
SMILESO=C1NCCc2ccc(CNc3nccnc3NCc3ccc4c(c3)C(=O)NCC4)cc21
InChIInChI=1S/C24H24N6O2/c31-23-19-11-15(1-3-17(19)5-7-27-23)13-29-21-22(26-10-9-25-21)30-14-16-2-4-18-6-8-28-24(32)20(18)12-16/h1-4,9-12H,5-8,13-14H2,(H,25,29)(H,26,30)(H,27,31)(H,28,32)
InChIKeyGPWDZCQPARBVOK-UHFFFAOYSA-N
XLogP2.27
TPSA108.04 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 52.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 7-[[[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)methylamino]pyrazin-2-yl]amino]methyl]-3,4-dihydro-2H-isoquinolin-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[[[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)methylamino]pyrazin-2-yl]amino]methyl]-3,4-dihydro-2H-isoquinolin-1-one?
The IUPAC name of 7-[[[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)methylamino]pyrazin-2-yl]amino]methyl]-3,4-dihydro-2H-isoquinolin-1-one (CID 166216360) is 7-[[[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)methylamino]pyrazin-2-yl]amino]methyl]-3,4-dihydro-2H-isoquinolin-1-one.
What is the SMILES notation for 7-[[[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)methylamino]pyrazin-2-yl]amino]methyl]-3,4-dihydro-2H-isoquinolin-1-one?
The canonical SMILES for 7-[[[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)methylamino]pyrazin-2-yl]amino]methyl]-3,4-dihydro-2H-isoquinolin-1-one is O=C1NCCc2ccc(CNc3nccnc3NCc3ccc4c(c3)C(=O)NCC4)cc21.
What is the InChIKey of 7-[[[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)methylamino]pyrazin-2-yl]amino]methyl]-3,4-dihydro-2H-isoquinolin-1-one?
The InChIKey is GPWDZCQPARBVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c31-23-19-11-15(1-3-17(19)5-7-27-23)13-29-21-22(26-10-9-25-21)30-14-16-2-4-18-6-8-28-24(32)20(18)12-16/h1-4,9-12H,5-8,13-14H2,(H,25,29)(H,26,30)(H,27,31)(H,28,32).
What are the key properties of 7-[[[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)methylamino]pyrazin-2-yl]amino]methyl]-3,4-dihydro-2H-isoquinolin-1-one?
7-[[[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)methylamino]pyrazin-2-yl]amino]methyl]-3,4-dihydro-2H-isoquinolin-1-one has a molecular weight of 428.50 g/mol, XLogP of 2.27, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)methylamino]pyrazin-2-yl]amino]methyl]-3,4-dihydro-2H-isoquinolin-1-one is sourced from PubChem (CID 166216360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).