1-(8-methyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl-(7H-purin-2-yl)azanide

C23H19N6O- — CID 144514647

IUPAC1-(8-methyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl-(7H-purin-2-yl)azanide
SMILESCc1cccc2cc(C(C)[N-]c3ncc4[nH]cnc4n3)n(-c3ccccc3)c(=O)c12
InChIInChI=1S/C23H19N6O/c1-14-7-6-8-16-11-19(29(22(30)20(14)16)17-9-4-3-5-10-17)15(2)27-23-24-12-18-21(28-23)26-13-25-18/h3-13,15H,1-2H3,(H-,24,25,26,27,28)/q-1
InChIKeyIJPNDMHZMDACNM-UHFFFAOYSA-N
MW395.45 g/mol
LogP4.73
Rot. Bonds4

About 1-(8-methyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl-(7H-purin-2-yl)azanide

1-(8-methyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl-(7H-purin-2-yl)azanide (PubChem CID 144514647) has the molecular formula C23H19N6O- and a molecular weight of 395.45 g/mol. Its IUPAC name is 1-(8-methyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl-(7H-purin-2-yl)azanide.

Molecular Properties

Compound Name1-(8-methyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl-(7H-purin-2-yl)azanide
PubChem CID144514647
Molecular FormulaC23H19N6O-
Molecular Weight395.45 g/mol
Exact Mass395.16
IUPAC Name1-(8-methyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl-(7H-purin-2-yl)azanide
SMILESCc1cccc2cc(C(C)[N-]c3ncc4[nH]cnc4n3)n(-c3ccccc3)c(=O)c12
InChIInChI=1S/C23H19N6O/c1-14-7-6-8-16-11-19(29(22(30)20(14)16)17-9-4-3-5-10-17)15(2)27-23-24-12-18-21(28-23)26-13-25-18/h3-13,15H,1-2H3,(H-,24,25,26,27,28)/q-1
InChIKeyIJPNDMHZMDACNM-UHFFFAOYSA-N
XLogP4.73
TPSA90.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.45
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-chloro-2-phenyl-3-[1-(7H-purin-2-ylamino)ethyl]isoquinolin-1-one
CID 78045174
3-[(1S)-1-[(2-fluoro-7H-purin-6-yl)amino]ethyl]-8-methyl-2-phenylisoquinolin-1-one;sulfane
CID 159142038
8-methyl-2-phenyl-3-[(1S)-1-(7H-purin-6-ylamino)propyl]isoquinolin-1-one
CID 67950705
3-[(1S)-1-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]ethyl]-8-methyl-2-phenylisoquinolin-1-one
CID 58008798
3-[1-[(5-amino-2-oxo-1H-pyrimidin-6-yl)amino]ethyl]-8-methyl-2-phenylisoquinolin-1-one
CID 58008898
3-(1-aminoethyl)-8-methyl-2-phenylisoquinolin-1-one;3-[1-[(2-amino-7H-purin-6-yl)amino]ethyl]-8-methyl-2-phenylisoquinolin-1-one;6-chloro-7H-purin-2-amine;methane
CID 158980434
8-methyl-2-phenyl-3-[(1S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)ethyl]isoquinolin-1-one;sulfane
CID 159553330
3-[(1S)-1-[(5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl]-8-methyl-2-phenylisoquinolin-1-one;sulfane
CID 162094545
2-(4-fluorophenyl)-8-methyl-3-[1-(7H-purin-6-ylamino)propyl]isoquinolin-1-one
CID 58008757
N-[1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-1H-benzimidazole-4-carboxamide
CID 123248712
4-[[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]amino]-2-methyl-6H-pyrimido[4,5-d]pyrimidin-5-one
CID 137294814
8-methyl-2-(2-methylphenyl)-3-propan-2-ylisoquinolin-1-one
CID 123206639

Frequently Asked Questions

What is the IUPAC name of 1-(8-methyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl-(7H-purin-2-yl)azanide?
The IUPAC name of 1-(8-methyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl-(7H-purin-2-yl)azanide (CID 144514647) is 1-(8-methyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl-(7H-purin-2-yl)azanide.
What is the SMILES notation for 1-(8-methyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl-(7H-purin-2-yl)azanide?
The canonical SMILES for 1-(8-methyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl-(7H-purin-2-yl)azanide is Cc1cccc2cc(C(C)[N-]c3ncc4[nH]cnc4n3)n(-c3ccccc3)c(=O)c12.
What is the InChIKey of 1-(8-methyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl-(7H-purin-2-yl)azanide?
The InChIKey is IJPNDMHZMDACNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N6O/c1-14-7-6-8-16-11-19(29(22(30)20(14)16)17-9-4-3-5-10-17)15(2)27-23-24-12-18-21(28-23)26-13-25-18/h3-13,15H,1-2H3,(H-,24,25,26,27,28)/q-1.
What are the key properties of 1-(8-methyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl-(7H-purin-2-yl)azanide?
1-(8-methyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl-(7H-purin-2-yl)azanide has a molecular weight of 395.45 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl-(7H-purin-2-yl)azanide is sourced from PubChem (CID 144514647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).