4-[4-(3-hydroxyquinolin-4-yl)-6-(4-methylphenyl)-1,3,5-triazin-2-yl]quinolin-3-ol

C28H19N5O2 — CID 135611728

IUPAC4-[4-(3-hydroxyquinolin-4-yl)-6-(4-methylphenyl)-1,3,5-triazin-2-yl]quinolin-3-ol
SMILESCc1ccc(-c2nc(-c3c(O)cnc4ccccc34)nc(-c3c(O)cnc4ccccc34)n2)cc1
InChIInChI=1S/C28H19N5O2/c1-16-10-12-17(13-11-16)26-31-27(24-18-6-2-4-8-20(18)29-14-22(24)34)33-28(32-26)25-19-7-3-5-9-21(19)30-15-23(25)35/h2-15,34-35H,1H3
InChIKeyYYAROQUKHQDQRP-UHFFFAOYSA-N
MW457.49 g/mol
LogP5.69
Rot. Bonds3

About 4-[4-(3-hydroxyquinolin-4-yl)-6-(4-methylphenyl)-1,3,5-triazin-2-yl]quinolin-3-ol

4-[4-(3-hydroxyquinolin-4-yl)-6-(4-methylphenyl)-1,3,5-triazin-2-yl]quinolin-3-ol (PubChem CID 135611728) has the molecular formula C28H19N5O2 and a molecular weight of 457.49 g/mol. Its IUPAC name is 4-[4-(3-hydroxyquinolin-4-yl)-6-(4-methylphenyl)-1,3,5-triazin-2-yl]quinolin-3-ol.

Molecular Properties

Compound Name4-[4-(3-hydroxyquinolin-4-yl)-6-(4-methylphenyl)-1,3,5-triazin-2-yl]quinolin-3-ol
PubChem CID135611728
Molecular FormulaC28H19N5O2
Molecular Weight457.49 g/mol
Exact Mass457.15
IUPAC Name4-[4-(3-hydroxyquinolin-4-yl)-6-(4-methylphenyl)-1,3,5-triazin-2-yl]quinolin-3-ol
SMILESCc1ccc(-c2nc(-c3c(O)cnc4ccccc34)nc(-c3c(O)cnc4ccccc34)n2)cc1
InChIInChI=1S/C28H19N5O2/c1-16-10-12-17(13-11-16)26-31-27(24-18-6-2-4-8-20(18)29-14-22(24)34)33-28(32-26)25-19-7-3-5-9-21(19)30-15-23(25)35/h2-15,34-35H,1H3
InChIKeyYYAROQUKHQDQRP-UHFFFAOYSA-N
XLogP5.69
TPSA104.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.49
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[4-(3-hydroxyquinolin-4-yl)-6-(4-methylphenyl)-1,3,5-triazin-2-yl]quinolin-3-ol with MolForge

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Related Compounds

2-Methyl-7-[pyridin-3-yl-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 3651915
2-Methyl-7-[phenyl-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 4999481
2-{4-[(Pyridin-3-ylmethyl)-amino]-quinazolin-2-yl}-phenol
CID 935994
7-[2-Pyridinyl(2-pyridinylamino)methyl]-8-quinolinol
CID 630034
8-Quinolinol, 7-(alpha-(3-methyl-2-pyridylamino)benzyl)-
CID 3056877
7-[[(6-Methylpyridin-2-yl)amino]-pyridin-4-ylmethyl]quinolin-8-ol
CID 2895161
7-[(4-Methylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2895171
7-[(4-Ethylphenyl)(2-pyridinylamino)methyl]-8-quinolinol
CID 2895804
7-[[(4-Methylpyridin-2-yl)amino]-pyridin-4-ylmethyl]quinolin-8-ol
CID 2895992
7-[(4-Ethylphenyl)[(4-methylpyridin-2-YL)amino]methyl]quinolin-8-OL
CID 2906981
5-[4-[[cis-4-(4,4-Difluoro-1-piperidinyl)cyclohexyl]amino]-6-quinazolinyl]-2-fluoro-3-pyridinol
CID 121266043
US9969749, Example 5-18
CID 130446816

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-hydroxyquinolin-4-yl)-6-(4-methylphenyl)-1,3,5-triazin-2-yl]quinolin-3-ol?
The IUPAC name of 4-[4-(3-hydroxyquinolin-4-yl)-6-(4-methylphenyl)-1,3,5-triazin-2-yl]quinolin-3-ol (CID 135611728) is 4-[4-(3-hydroxyquinolin-4-yl)-6-(4-methylphenyl)-1,3,5-triazin-2-yl]quinolin-3-ol.
What is the SMILES notation for 4-[4-(3-hydroxyquinolin-4-yl)-6-(4-methylphenyl)-1,3,5-triazin-2-yl]quinolin-3-ol?
The canonical SMILES for 4-[4-(3-hydroxyquinolin-4-yl)-6-(4-methylphenyl)-1,3,5-triazin-2-yl]quinolin-3-ol is Cc1ccc(-c2nc(-c3c(O)cnc4ccccc34)nc(-c3c(O)cnc4ccccc34)n2)cc1.
What is the InChIKey of 4-[4-(3-hydroxyquinolin-4-yl)-6-(4-methylphenyl)-1,3,5-triazin-2-yl]quinolin-3-ol?
The InChIKey is YYAROQUKHQDQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19N5O2/c1-16-10-12-17(13-11-16)26-31-27(24-18-6-2-4-8-20(18)29-14-22(24)34)33-28(32-26)25-19-7-3-5-9-21(19)30-15-23(25)35/h2-15,34-35H,1H3.
What are the key properties of 4-[4-(3-hydroxyquinolin-4-yl)-6-(4-methylphenyl)-1,3,5-triazin-2-yl]quinolin-3-ol?
4-[4-(3-hydroxyquinolin-4-yl)-6-(4-methylphenyl)-1,3,5-triazin-2-yl]quinolin-3-ol has a molecular weight of 457.49 g/mol, XLogP of 5.69, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-hydroxyquinolin-4-yl)-6-(4-methylphenyl)-1,3,5-triazin-2-yl]quinolin-3-ol is sourced from PubChem (CID 135611728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).