9-[(8-methyl-2-phenylquinolin-3-yl)methyl]purin-6-amine

C22H18N6 — CID 67200292

IUPAC9-[(8-methyl-2-phenylquinolin-3-yl)methyl]purin-6-amine
SMILESCc1cccc2cc(Cn3cnc4c(N)ncnc43)c(-c3ccccc3)nc12
InChIInChI=1S/C22H18N6/c1-14-6-5-9-16-10-17(19(27-18(14)16)15-7-3-2-4-8-15)11-28-13-26-20-21(23)24-12-25-22(20)28/h2-10,12-13H,11H2,1H3,(H2,23,24,25)
InChIKeyDPBGGDNCPVEYJS-UHFFFAOYSA-N
MW366.43 g/mol
LogP3.98
Rot. Bonds3

About 9-[(8-methyl-2-phenylquinolin-3-yl)methyl]purin-6-amine

9-[(8-methyl-2-phenylquinolin-3-yl)methyl]purin-6-amine (PubChem CID 67200292) has the molecular formula C22H18N6 and a molecular weight of 366.43 g/mol. Its IUPAC name is 9-[(8-methyl-2-phenylquinolin-3-yl)methyl]purin-6-amine.

Molecular Properties

Compound Name9-[(8-methyl-2-phenylquinolin-3-yl)methyl]purin-6-amine
PubChem CID67200292
Molecular FormulaC22H18N6
Molecular Weight366.43 g/mol
Exact Mass366.16
IUPAC Name9-[(8-methyl-2-phenylquinolin-3-yl)methyl]purin-6-amine
SMILESCc1cccc2cc(Cn3cnc4c(N)ncnc43)c(-c3ccccc3)nc12
InChIInChI=1S/C22H18N6/c1-14-6-5-9-16-10-17(19(27-18(14)16)15-7-3-2-4-8-15)11-28-13-26-20-21(23)24-12-25-22(20)28/h2-10,12-13H,11H2,1H3,(H2,23,24,25)
InChIKeyDPBGGDNCPVEYJS-UHFFFAOYSA-N
XLogP3.98
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

9-[[2-(2-ethoxyphenyl)-8-methylquinolin-3-yl]methyl]purin-6-amine
CID 66800156
3-[(6-aminopurin-9-yl)methyl]-N-(1,5-dimethylpyrrolidin-3-yl)-N,8-dimethylquinolin-2-amine
CID 130311567
9-[[6-(2-methylphenyl)quinolin-7-yl]methyl]purin-6-amine
CID 71610016
9-[[2-(aminomethyl)-5-phenyl-1H-indol-7-yl]methyl]purin-6-amine
CID 129244413
2-(8-methyl-2-phenylquinolin-3-yl)ethanol
CID 68623431
9-[[5-methyl-3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]purin-6-amine
CID 70922553
9-[(4-methylphenyl)methyl]purin-6-amine
CID 30470362
2-(2-chlorophenyl)-3-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methyl]-8-methylquinoline
CID 86626622
9-[(6-chloro-2-pyridinyl)methyl]purin-6-amine
CID 79241002
4-[(6-aminopurin-9-yl)methyl]-5-methylthiophene-2-carboxylic acid
CID 80730598
6-[(6-aminopurin-9-yl)methyl]pyridine-2-carbohydrazide
CID 106909508
CID 87159034
CID 87159034

Frequently Asked Questions

What is the IUPAC name of 9-[(8-methyl-2-phenylquinolin-3-yl)methyl]purin-6-amine?
The IUPAC name of 9-[(8-methyl-2-phenylquinolin-3-yl)methyl]purin-6-amine (CID 67200292) is 9-[(8-methyl-2-phenylquinolin-3-yl)methyl]purin-6-amine.
What is the SMILES notation for 9-[(8-methyl-2-phenylquinolin-3-yl)methyl]purin-6-amine?
The canonical SMILES for 9-[(8-methyl-2-phenylquinolin-3-yl)methyl]purin-6-amine is Cc1cccc2cc(Cn3cnc4c(N)ncnc43)c(-c3ccccc3)nc12.
What is the InChIKey of 9-[(8-methyl-2-phenylquinolin-3-yl)methyl]purin-6-amine?
The InChIKey is DPBGGDNCPVEYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6/c1-14-6-5-9-16-10-17(19(27-18(14)16)15-7-3-2-4-8-15)11-28-13-26-20-21(23)24-12-25-22(20)28/h2-10,12-13H,11H2,1H3,(H2,23,24,25).
What are the key properties of 9-[(8-methyl-2-phenylquinolin-3-yl)methyl]purin-6-amine?
9-[(8-methyl-2-phenylquinolin-3-yl)methyl]purin-6-amine has a molecular weight of 366.43 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(8-methyl-2-phenylquinolin-3-yl)methyl]purin-6-amine is sourced from PubChem (CID 67200292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).