7-[(2-hydroxy-5-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol

C23H21N3O2 — CID 23879787

IUPAC7-[(2-hydroxy-5-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
SMILESCc1ccc(O)c(C(Nc2cccc(C)n2)c2ccc3cccnc3c2O)c1
InChIInChI=1S/C23H21N3O2/c1-14-8-11-19(27)18(13-14)22(26-20-7-3-5-15(2)25-20)17-10-9-16-6-4-12-24-21(16)23(17)28/h3-13,22,27-28H,1-2H3,(H,25,26)
InChIKeyPEZKPECHWDGWAI-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.86
Rot. Bonds4

About 7-[(2-hydroxy-5-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol

7-[(2-hydroxy-5-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol (PubChem CID 23879787) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 7-[(2-hydroxy-5-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(2-hydroxy-5-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
PubChem CID23879787
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name7-[(2-hydroxy-5-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
SMILESCc1ccc(O)c(C(Nc2cccc(C)n2)c2ccc3cccnc3c2O)c1
InChIInChI=1S/C23H21N3O2/c1-14-8-11-19(27)18(13-14)22(26-20-7-3-5-15(2)25-20)17-10-9-16-6-4-12-24-21(16)23(17)28/h3-13,22,27-28H,1-2H3,(H,25,26)
InChIKeyPEZKPECHWDGWAI-UHFFFAOYSA-N
XLogP4.86
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[(2-hydroxy-5-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol?
The IUPAC name of 7-[(2-hydroxy-5-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol (CID 23879787) is 7-[(2-hydroxy-5-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol.
What is the SMILES notation for 7-[(2-hydroxy-5-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol?
The canonical SMILES for 7-[(2-hydroxy-5-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol is Cc1ccc(O)c(C(Nc2cccc(C)n2)c2ccc3cccnc3c2O)c1.
What is the InChIKey of 7-[(2-hydroxy-5-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol?
The InChIKey is PEZKPECHWDGWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-14-8-11-19(27)18(13-14)22(26-20-7-3-5-15(2)25-20)17-10-9-16-6-4-12-24-21(16)23(17)28/h3-13,22,27-28H,1-2H3,(H,25,26).
What are the key properties of 7-[(2-hydroxy-5-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol?
7-[(2-hydroxy-5-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol has a molecular weight of 371.44 g/mol, XLogP of 4.86, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-hydroxy-5-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol is sourced from PubChem (CID 23879787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).