7-[(3-hydroxyphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol

C23H21N3O2 — CID 2907238

IUPAC7-[(3-hydroxyphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol
SMILESCc1cccc(NC(c2cccc(O)c2)c2ccc3ccc(C)nc3c2O)n1
InChIInChI=1S/C23H21N3O2/c1-14-5-3-8-20(24-14)26-21(17-6-4-7-18(27)13-17)19-12-11-16-10-9-15(2)25-22(16)23(19)28/h3-13,21,27-28H,1-2H3,(H,24,26)
InChIKeyTWSPOEIUAJSFOV-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.86
Rot. Bonds4

About 7-[(3-hydroxyphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol

7-[(3-hydroxyphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol (PubChem CID 2907238) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 7-[(3-hydroxyphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol.

Molecular Properties

Compound Name7-[(3-hydroxyphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol
PubChem CID2907238
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name7-[(3-hydroxyphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol
SMILESCc1cccc(NC(c2cccc(O)c2)c2ccc3ccc(C)nc3c2O)n1
InChIInChI=1S/C23H21N3O2/c1-14-5-3-8-20(24-14)26-21(17-6-4-7-18(27)13-17)19-12-11-16-10-9-15(2)25-22(16)23(19)28/h3-13,21,27-28H,1-2H3,(H,24,26)
InChIKeyTWSPOEIUAJSFOV-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-[(3-hydroxyphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol?
The IUPAC name of 7-[(3-hydroxyphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol (CID 2907238) is 7-[(3-hydroxyphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol.
What is the SMILES notation for 7-[(3-hydroxyphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol?
The canonical SMILES for 7-[(3-hydroxyphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol is Cc1cccc(NC(c2cccc(O)c2)c2ccc3ccc(C)nc3c2O)n1.
What is the InChIKey of 7-[(3-hydroxyphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol?
The InChIKey is TWSPOEIUAJSFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-14-5-3-8-20(24-14)26-21(17-6-4-7-18(27)13-17)19-12-11-16-10-9-15(2)25-22(16)23(19)28/h3-13,21,27-28H,1-2H3,(H,24,26).
What are the key properties of 7-[(3-hydroxyphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol?
7-[(3-hydroxyphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-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-[(3-hydroxyphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol is sourced from PubChem (CID 2907238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).