9-[[6-(2-methylphenyl)quinolin-7-yl]methyl]purin-6-amine

C22H18N6 — CID 71610016

IUPAC9-[[6-(2-methylphenyl)quinolin-7-yl]methyl]purin-6-amine
SMILESCc1ccccc1-c1cc2cccnc2cc1Cn1cnc2c(N)ncnc21
InChIInChI=1S/C22H18N6/c1-14-5-2-3-7-17(14)18-9-15-6-4-8-24-19(15)10-16(18)11-28-13-27-20-21(23)25-12-26-22(20)28/h2-10,12-13H,11H2,1H3,(H2,23,25,26)
InChIKeyMQQNHRMNEYFYPW-UHFFFAOYSA-N
MW366.43 g/mol
LogP3.98
Rot. Bonds3

About 9-[[6-(2-methylphenyl)quinolin-7-yl]methyl]purin-6-amine

9-[[6-(2-methylphenyl)quinolin-7-yl]methyl]purin-6-amine (PubChem CID 71610016) has the molecular formula C22H18N6 and a molecular weight of 366.43 g/mol. Its IUPAC name is 9-[[6-(2-methylphenyl)quinolin-7-yl]methyl]purin-6-amine.

Molecular Properties

Compound Name9-[[6-(2-methylphenyl)quinolin-7-yl]methyl]purin-6-amine
PubChem CID71610016
Molecular FormulaC22H18N6
Molecular Weight366.43 g/mol
Exact Mass366.16
IUPAC Name9-[[6-(2-methylphenyl)quinolin-7-yl]methyl]purin-6-amine
SMILESCc1ccccc1-c1cc2cccnc2cc1Cn1cnc2c(N)ncnc21
InChIInChI=1S/C22H18N6/c1-14-5-2-3-7-17(14)18-9-15-6-4-8-24-19(15)10-16(18)11-28-13-27-20-21(23)25-12-26-22(20)28/h2-10,12-13H,11H2,1H3,(H2,23,25,26)
InChIKeyMQQNHRMNEYFYPW-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-[(8-methyl-2-phenylquinolin-3-yl)methyl]purin-6-amine
CID 67200292
9-[[2-(2-ethoxyphenyl)-8-methylquinolin-3-yl]methyl]purin-6-amine
CID 66800156
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
3-[(6-aminopurin-9-yl)methyl]-N-(1,5-dimethylpyrrolidin-3-yl)-N,8-dimethylquinolin-2-amine
CID 130311567
9-[[4-(aminomethyl)-2-chlorophenyl]methyl]purin-6-amine
CID 102663266
9-[[2-(aminomethyl)-5-phenyl-1H-indol-7-yl]methyl]purin-6-amine
CID 129244413
9-[[2-(aminomethyl)-4-(2-fluorophenyl)-1H-indol-7-yl]methyl]purin-6-amine
CID 129244210
9-[3-(2-methylphenyl)sulfanylpropyl]purin-6-amine
CID 62873662
9-[(2-chloro-4-pyridinyl)methyl]purin-6-amine
CID 62469538
N,N-dimethyl-9-[(2-methylphenyl)methyl]purin-6-amine
CID 14022452
9-[(6-chloro-2-pyridinyl)methyl]purin-6-amine
CID 79241002

Frequently Asked Questions

What is the IUPAC name of 9-[[6-(2-methylphenyl)quinolin-7-yl]methyl]purin-6-amine?
The IUPAC name of 9-[[6-(2-methylphenyl)quinolin-7-yl]methyl]purin-6-amine (CID 71610016) is 9-[[6-(2-methylphenyl)quinolin-7-yl]methyl]purin-6-amine.
What is the SMILES notation for 9-[[6-(2-methylphenyl)quinolin-7-yl]methyl]purin-6-amine?
The canonical SMILES for 9-[[6-(2-methylphenyl)quinolin-7-yl]methyl]purin-6-amine is Cc1ccccc1-c1cc2cccnc2cc1Cn1cnc2c(N)ncnc21.
What is the InChIKey of 9-[[6-(2-methylphenyl)quinolin-7-yl]methyl]purin-6-amine?
The InChIKey is MQQNHRMNEYFYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6/c1-14-5-2-3-7-17(14)18-9-15-6-4-8-24-19(15)10-16(18)11-28-13-27-20-21(23)25-12-26-22(20)28/h2-10,12-13H,11H2,1H3,(H2,23,25,26).
What are the key properties of 9-[[6-(2-methylphenyl)quinolin-7-yl]methyl]purin-6-amine?
9-[[6-(2-methylphenyl)quinolin-7-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-[[6-(2-methylphenyl)quinolin-7-yl]methyl]purin-6-amine is sourced from PubChem (CID 71610016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).