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

C24H22N6O — CID 66800156

IUPAC9-[[2-(2-ethoxyphenyl)-8-methylquinolin-3-yl]methyl]purin-6-amine
SMILESCCOc1ccccc1-c1nc2c(C)cccc2cc1Cn1cnc2c(N)ncnc21
InChIInChI=1S/C24H22N6O/c1-3-31-19-10-5-4-9-18(19)21-17(11-16-8-6-7-15(2)20(16)29-21)12-30-14-28-22-23(25)26-13-27-24(22)30/h4-11,13-14H,3,12H2,1-2H3,(H2,25,26,27)
InChIKeyBWSUERPBSFSDCK-UHFFFAOYSA-N
MW410.48 g/mol
LogP4.38
Rot. Bonds5

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

9-[[2-(2-ethoxyphenyl)-8-methylquinolin-3-yl]methyl]purin-6-amine (PubChem CID 66800156) has the molecular formula C24H22N6O and a molecular weight of 410.48 g/mol. Its IUPAC name is 9-[[2-(2-ethoxyphenyl)-8-methylquinolin-3-yl]methyl]purin-6-amine.

Molecular Properties

Compound Name9-[[2-(2-ethoxyphenyl)-8-methylquinolin-3-yl]methyl]purin-6-amine
PubChem CID66800156
Molecular FormulaC24H22N6O
Molecular Weight410.48 g/mol
Exact Mass410.19
IUPAC Name9-[[2-(2-ethoxyphenyl)-8-methylquinolin-3-yl]methyl]purin-6-amine
SMILESCCOc1ccccc1-c1nc2c(C)cccc2cc1Cn1cnc2c(N)ncnc21
InChIInChI=1S/C24H22N6O/c1-3-31-19-10-5-4-9-18(19)21-17(11-16-8-6-7-15(2)20(16)29-21)12-30-14-28-22-23(25)26-13-27-24(22)30/h4-11,13-14H,3,12H2,1-2H3,(H2,25,26,27)
InChIKeyBWSUERPBSFSDCK-UHFFFAOYSA-N
XLogP4.38
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 9-[[2-(2-ethoxyphenyl)-8-methylquinolin-3-yl]methyl]purin-6-amine?
The IUPAC name of 9-[[2-(2-ethoxyphenyl)-8-methylquinolin-3-yl]methyl]purin-6-amine (CID 66800156) is 9-[[2-(2-ethoxyphenyl)-8-methylquinolin-3-yl]methyl]purin-6-amine.
What is the SMILES notation for 9-[[2-(2-ethoxyphenyl)-8-methylquinolin-3-yl]methyl]purin-6-amine?
The canonical SMILES for 9-[[2-(2-ethoxyphenyl)-8-methylquinolin-3-yl]methyl]purin-6-amine is CCOc1ccccc1-c1nc2c(C)cccc2cc1Cn1cnc2c(N)ncnc21.
What is the InChIKey of 9-[[2-(2-ethoxyphenyl)-8-methylquinolin-3-yl]methyl]purin-6-amine?
The InChIKey is BWSUERPBSFSDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O/c1-3-31-19-10-5-4-9-18(19)21-17(11-16-8-6-7-15(2)20(16)29-21)12-30-14-28-22-23(25)26-13-27-24(22)30/h4-11,13-14H,3,12H2,1-2H3,(H2,25,26,27).
What are the key properties of 9-[[2-(2-ethoxyphenyl)-8-methylquinolin-3-yl]methyl]purin-6-amine?
9-[[2-(2-ethoxyphenyl)-8-methylquinolin-3-yl]methyl]purin-6-amine has a molecular weight of 410.48 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[2-(2-ethoxyphenyl)-8-methylquinolin-3-yl]methyl]purin-6-amine is sourced from PubChem (CID 66800156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).