5-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]methyl]quinolin-8-ol

C22H21N5O4 — CID 23536133

IUPAC5-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]methyl]quinolin-8-ol
SMILESCOc1cc(Nc2ncnc(Cc3ccc(O)c4ncccc34)n2)cc(OC)c1OC
InChIInChI=1S/C22H21N5O4/c1-29-17-10-14(11-18(30-2)21(17)31-3)26-22-25-12-24-19(27-22)9-13-6-7-16(28)20-15(13)5-4-8-23-20/h4-8,10-12,28H,9H2,1-3H3,(H,24,25,26,27)
InChIKeyRTVTWFLTWDQNKB-UHFFFAOYSA-N
MW419.44 g/mol
LogP3.49
Rot. Bonds7

About 5-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]methyl]quinolin-8-ol

5-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]methyl]quinolin-8-ol (PubChem CID 23536133) has the molecular formula C22H21N5O4 and a molecular weight of 419.44 g/mol. Its IUPAC name is 5-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]methyl]quinolin-8-ol.

Molecular Properties

Compound Name5-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]methyl]quinolin-8-ol
PubChem CID23536133
Molecular FormulaC22H21N5O4
Molecular Weight419.44 g/mol
Exact Mass419.16
IUPAC Name5-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]methyl]quinolin-8-ol
SMILESCOc1cc(Nc2ncnc(Cc3ccc(O)c4ncccc34)n2)cc(OC)c1OC
InChIInChI=1S/C22H21N5O4/c1-29-17-10-14(11-18(30-2)21(17)31-3)26-22-25-12-24-19(27-22)9-13-6-7-16(28)20-15(13)5-4-8-23-20/h4-8,10-12,28H,9H2,1-3H3,(H,24,25,26,27)
InChIKeyRTVTWFLTWDQNKB-UHFFFAOYSA-N
XLogP3.49
TPSA111.51 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]methyl]quinolin-8-ol with MolForge

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Related Compounds

4-N-quinolin-8-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23536693
2-methyl-5-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]phenol
CID 23535780
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
4-N-[1-(phosphanylmethyl)indol-5-yl]-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 142056646
4-(2-chloroimidazol-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 22560087
5-[(6,7-dimethoxyquinazolin-4-yl)amino]quinolin-8-ol
CID 15908166
4-[2-(3,5-dichloroanilino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 23535916
5-methylquinolin-8-ol;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 69226902
1-(8-methoxyquinolin-5-yl)-N-methylmethanamine
CID 16640560
3-[[4-(3-hydroxy-4,5-dimethoxyanilino)-1,3,5-triazin-2-yl]amino]benzoic acid
CID 142056685
6-[(8-hydroxyquinolin-5-yl)methyl]quinolin-8-ol
CID 35209438

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]methyl]quinolin-8-ol?
The IUPAC name of 5-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]methyl]quinolin-8-ol (CID 23536133) is 5-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]methyl]quinolin-8-ol.
What is the SMILES notation for 5-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]methyl]quinolin-8-ol?
The canonical SMILES for 5-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]methyl]quinolin-8-ol is COc1cc(Nc2ncnc(Cc3ccc(O)c4ncccc34)n2)cc(OC)c1OC.
What is the InChIKey of 5-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]methyl]quinolin-8-ol?
The InChIKey is RTVTWFLTWDQNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O4/c1-29-17-10-14(11-18(30-2)21(17)31-3)26-22-25-12-24-19(27-22)9-13-6-7-16(28)20-15(13)5-4-8-23-20/h4-8,10-12,28H,9H2,1-3H3,(H,24,25,26,27).
What are the key properties of 5-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]methyl]quinolin-8-ol?
5-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]methyl]quinolin-8-ol has a molecular weight of 419.44 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]methyl]quinolin-8-ol is sourced from PubChem (CID 23536133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).