4-N-[2-(2-methoxyphenyl)ethyl]-6-N-methyl-2-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine

C22H23N7O — CID 24767924

IUPAC4-N-[2-(2-methoxyphenyl)ethyl]-6-N-methyl-2-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(NCCc2ccccc2OC)nc(Nc2ccc3ncccc3c2)n1
InChIInChI=1S/C22H23N7O/c1-23-20-27-21(25-13-11-15-6-3-4-8-19(15)30-2)29-22(28-20)26-17-9-10-18-16(14-17)7-5-12-24-18/h3-10,12,14H,11,13H2,1-2H3,(H3,23,25,26,27,28,29)
InChIKeyNHMHDVJUUYELRQ-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.87
Rot. Bonds8

About 4-N-[2-(2-methoxyphenyl)ethyl]-6-N-methyl-2-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine

4-N-[2-(2-methoxyphenyl)ethyl]-6-N-methyl-2-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine (PubChem CID 24767924) has the molecular formula C22H23N7O and a molecular weight of 401.47 g/mol. Its IUPAC name is 4-N-[2-(2-methoxyphenyl)ethyl]-6-N-methyl-2-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[2-(2-methoxyphenyl)ethyl]-6-N-methyl-2-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine
PubChem CID24767924
Molecular FormulaC22H23N7O
Molecular Weight401.47 g/mol
Exact Mass401.20
IUPAC Name4-N-[2-(2-methoxyphenyl)ethyl]-6-N-methyl-2-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(NCCc2ccccc2OC)nc(Nc2ccc3ncccc3c2)n1
InChIInChI=1S/C22H23N7O/c1-23-20-27-21(25-13-11-15-6-3-4-8-19(15)30-2)29-22(28-20)26-17-9-10-18-16(14-17)7-5-12-24-18/h3-10,12,14H,11,13H2,1-2H3,(H3,23,25,26,27,28,29)
InChIKeyNHMHDVJUUYELRQ-UHFFFAOYSA-N
XLogP3.87
TPSA96.88 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(2-methoxyphenyl)ethyl]-6-N-methyl-2-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-[2-(2-methoxyphenyl)ethyl]-6-N-methyl-2-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine (CID 24767924) is 4-N-[2-(2-methoxyphenyl)ethyl]-6-N-methyl-2-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-[2-(2-methoxyphenyl)ethyl]-6-N-methyl-2-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-[2-(2-methoxyphenyl)ethyl]-6-N-methyl-2-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine is CNc1nc(NCCc2ccccc2OC)nc(Nc2ccc3ncccc3c2)n1.
What is the InChIKey of 4-N-[2-(2-methoxyphenyl)ethyl]-6-N-methyl-2-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is NHMHDVJUUYELRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O/c1-23-20-27-21(25-13-11-15-6-3-4-8-19(15)30-2)29-22(28-20)26-17-9-10-18-16(14-17)7-5-12-24-18/h3-10,12,14H,11,13H2,1-2H3,(H3,23,25,26,27,28,29).
What are the key properties of 4-N-[2-(2-methoxyphenyl)ethyl]-6-N-methyl-2-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine?
4-N-[2-(2-methoxyphenyl)ethyl]-6-N-methyl-2-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 401.47 g/mol, XLogP of 3.87, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(2-methoxyphenyl)ethyl]-6-N-methyl-2-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 24767924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).