2-N-quinolin-3-yl-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine

C21H20N6O3 — CID 23536542

IUPAC2-N-quinolin-3-yl-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1cc(Nc2ncnc(Nc3cnc4ccccc4c3)n2)cc(OC)c1OC
InChIInChI=1S/C21H20N6O3/c1-28-17-9-14(10-18(29-2)19(17)30-3)25-20-23-12-24-21(27-20)26-15-8-13-6-4-5-7-16(13)22-11-15/h4-12H,1-3H3,(H2,23,24,25,26,27)
InChIKeyMTMFBNKTKJENJB-UHFFFAOYSA-N
MW404.43 g/mol
LogP3.93
Rot. Bonds7

About 2-N-quinolin-3-yl-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine

2-N-quinolin-3-yl-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 23536542) has the molecular formula C21H20N6O3 and a molecular weight of 404.43 g/mol. Its IUPAC name is 2-N-quinolin-3-yl-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-quinolin-3-yl-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID23536542
Molecular FormulaC21H20N6O3
Molecular Weight404.43 g/mol
Exact Mass404.16
IUPAC Name2-N-quinolin-3-yl-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1cc(Nc2ncnc(Nc3cnc4ccccc4c3)n2)cc(OC)c1OC
InChIInChI=1S/C21H20N6O3/c1-28-17-9-14(10-18(29-2)19(17)30-3)25-20-23-12-24-21(27-20)26-15-8-13-6-4-5-7-16(13)22-11-15/h4-12H,1-3H3,(H2,23,24,25,26,27)
InChIKeyMTMFBNKTKJENJB-UHFFFAOYSA-N
XLogP3.93
TPSA103.31 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-N-quinolin-3-yl-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-quinolin-3-yl-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine (CID 23536542) is 2-N-quinolin-3-yl-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-quinolin-3-yl-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-quinolin-3-yl-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine is COc1cc(Nc2ncnc(Nc3cnc4ccccc4c3)n2)cc(OC)c1OC.
What is the InChIKey of 2-N-quinolin-3-yl-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is MTMFBNKTKJENJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O3/c1-28-17-9-14(10-18(29-2)19(17)30-3)25-20-23-12-24-21(27-20)26-15-8-13-6-4-5-7-16(13)22-11-15/h4-12H,1-3H3,(H2,23,24,25,26,27).
What are the key properties of 2-N-quinolin-3-yl-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine?
2-N-quinolin-3-yl-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 404.43 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-quinolin-3-yl-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23536542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).