2-N-phenyl-6-(quinolin-8-yloxymethyl)-1,3,5-triazine-2,4-diamine

C19H16N6O — CID 899251

IUPAC2-N-phenyl-6-(quinolin-8-yloxymethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(COc2cccc3cccnc23)nc(Nc2ccccc2)n1
InChIInChI=1S/C19H16N6O/c20-18-23-16(24-19(25-18)22-14-8-2-1-3-9-14)12-26-15-10-4-6-13-7-5-11-21-17(13)15/h1-11H,12H2,(H3,20,22,23,24,25)
InChIKeyIVPOJJYEOMSRGD-UHFFFAOYSA-N
MW344.38 g/mol
LogP3.32
Rot. Bonds5

About 2-N-phenyl-6-(quinolin-8-yloxymethyl)-1,3,5-triazine-2,4-diamine

2-N-phenyl-6-(quinolin-8-yloxymethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 899251) has the molecular formula C19H16N6O and a molecular weight of 344.38 g/mol. Its IUPAC name is 2-N-phenyl-6-(quinolin-8-yloxymethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-phenyl-6-(quinolin-8-yloxymethyl)-1,3,5-triazine-2,4-diamine
PubChem CID899251
Molecular FormulaC19H16N6O
Molecular Weight344.38 g/mol
Exact Mass344.14
IUPAC Name2-N-phenyl-6-(quinolin-8-yloxymethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(COc2cccc3cccnc23)nc(Nc2ccccc2)n1
InChIInChI=1S/C19H16N6O/c20-18-23-16(24-19(25-18)22-14-8-2-1-3-9-14)12-26-15-10-4-6-13-7-5-11-21-17(13)15/h1-11H,12H2,(H3,20,22,23,24,25)
InChIKeyIVPOJJYEOMSRGD-UHFFFAOYSA-N
XLogP3.32
TPSA98.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-phenyl-6-(quinolin-8-yloxymethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-phenyl-6-(quinolin-8-yloxymethyl)-1,3,5-triazine-2,4-diamine (CID 899251) is 2-N-phenyl-6-(quinolin-8-yloxymethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-phenyl-6-(quinolin-8-yloxymethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-phenyl-6-(quinolin-8-yloxymethyl)-1,3,5-triazine-2,4-diamine is Nc1nc(COc2cccc3cccnc23)nc(Nc2ccccc2)n1.
What is the InChIKey of 2-N-phenyl-6-(quinolin-8-yloxymethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is IVPOJJYEOMSRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O/c20-18-23-16(24-19(25-18)22-14-8-2-1-3-9-14)12-26-15-10-4-6-13-7-5-11-21-17(13)15/h1-11H,12H2,(H3,20,22,23,24,25).
What are the key properties of 2-N-phenyl-6-(quinolin-8-yloxymethyl)-1,3,5-triazine-2,4-diamine?
2-N-phenyl-6-(quinolin-8-yloxymethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 344.38 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-phenyl-6-(quinolin-8-yloxymethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 899251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).