4-N-quinolin-8-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine

C21H20N6O3 — CID 23536693

IUPAC4-N-quinolin-8-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1cc(Nc2ncnc(Nc3cccc4cccnc34)n2)cc(OC)c1OC
InChIInChI=1S/C21H20N6O3/c1-28-16-10-14(11-17(29-2)19(16)30-3)25-20-23-12-24-21(27-20)26-15-8-4-6-13-7-5-9-22-18(13)15/h4-12H,1-3H3,(H2,23,24,25,26,27)
InChIKeyAIIRSJKSWSWLSI-UHFFFAOYSA-N
MW404.43 g/mol
LogP3.93
Rot. Bonds7

About 4-N-quinolin-8-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine

4-N-quinolin-8-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 23536693) has the molecular formula C21H20N6O3 and a molecular weight of 404.43 g/mol. Its IUPAC name is 4-N-quinolin-8-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-quinolin-8-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID23536693
Molecular FormulaC21H20N6O3
Molecular Weight404.43 g/mol
Exact Mass404.16
IUPAC Name4-N-quinolin-8-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1cc(Nc2ncnc(Nc3cccc4cccnc34)n2)cc(OC)c1OC
InChIInChI=1S/C21H20N6O3/c1-28-16-10-14(11-17(29-2)19(16)30-3)25-20-23-12-24-21(27-20)26-15-8-4-6-13-7-5-9-22-18(13)15/h4-12H,1-3H3,(H2,23,24,25,26,27)
InChIKeyAIIRSJKSWSWLSI-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

Analyze 4-N-quinolin-8-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

N-quinolin-8-yl-N'-(3,4,5-trimethoxyphenyl)propanediamide
CID 108956737
5-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]methyl]quinolin-8-ol
CID 23536133
4-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 23536125
4-chloro-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 22028121
2-methyl-5-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]phenol
CID 23535780
N-pentan-3-yl-2-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]benzamide
CID 71812787
4-N-(5-chloro-2-methoxyphenyl)-6-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112866059
4-(3-chlorophenyl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 23535998
4-[2-(3,5-dichloroanilino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 23535916
2-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23536686
5-methoxy-3-N-quinolin-8-ylbenzene-1,3-diamine
CID 80723302
N-quinolin-8-yl-3-(3,4,5-trimethoxyphenyl)propanamide
CID 26123575

Frequently Asked Questions

What is the IUPAC name of 4-N-quinolin-8-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-quinolin-8-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine (CID 23536693) is 4-N-quinolin-8-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-quinolin-8-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-quinolin-8-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine is COc1cc(Nc2ncnc(Nc3cccc4cccnc34)n2)cc(OC)c1OC.
What is the InChIKey of 4-N-quinolin-8-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is AIIRSJKSWSWLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O3/c1-28-16-10-14(11-17(29-2)19(16)30-3)25-20-23-12-24-21(27-20)26-15-8-4-6-13-7-5-9-22-18(13)15/h4-12H,1-3H3,(H2,23,24,25,26,27).
What are the key properties of 4-N-quinolin-8-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine?
4-N-quinolin-8-yl-2-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 4-N-quinolin-8-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23536693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).