7-[(3-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol

C23H21N3O2 — CID 3509393

IUPAC7-[(3-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
SMILESCOc1cccc(C(Nc2cc(C)ccn2)c2ccc3cccnc3c2O)c1
InChIInChI=1S/C23H21N3O2/c1-15-10-12-24-20(13-15)26-21(17-5-3-7-18(14-17)28-2)19-9-8-16-6-4-11-25-22(16)23(19)27/h3-14,21,27H,1-2H3,(H,24,26)
InChIKeyZUWZEUHOMMKNAZ-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.85
Rot. Bonds5

About 7-[(3-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol

7-[(3-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol (PubChem CID 3509393) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 7-[(3-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(3-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
PubChem CID3509393
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name7-[(3-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
SMILESCOc1cccc(C(Nc2cc(C)ccn2)c2ccc3cccnc3c2O)c1
InChIInChI=1S/C23H21N3O2/c1-15-10-12-24-20(13-15)26-21(17-5-3-7-18(14-17)28-2)19-9-8-16-6-4-11-25-22(16)23(19)27/h3-14,21,27H,1-2H3,(H,24,26)
InChIKeyZUWZEUHOMMKNAZ-UHFFFAOYSA-N
XLogP4.85
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-[(3-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[(3-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol?
The IUPAC name of 7-[(3-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol (CID 3509393) is 7-[(3-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol.
What is the SMILES notation for 7-[(3-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol?
The canonical SMILES for 7-[(3-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol is COc1cccc(C(Nc2cc(C)ccn2)c2ccc3cccnc3c2O)c1.
What is the InChIKey of 7-[(3-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol?
The InChIKey is ZUWZEUHOMMKNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-15-10-12-24-20(13-15)26-21(17-5-3-7-18(14-17)28-2)19-9-8-16-6-4-11-25-22(16)23(19)27/h3-14,21,27H,1-2H3,(H,24,26).
What are the key properties of 7-[(3-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol?
7-[(3-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol has a molecular weight of 371.44 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol is sourced from PubChem (CID 3509393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).