7-[(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol

C23H21N3O2 — CID 2906686

IUPAC7-[(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol
SMILESCOc1ccc(C(Nc2ccccn2)c2ccc3ccc(C)nc3c2O)cc1
InChIInChI=1S/C23H21N3O2/c1-15-6-7-17-10-13-19(23(27)22(17)25-15)21(26-20-5-3-4-14-24-20)16-8-11-18(28-2)12-9-16/h3-14,21,27H,1-2H3,(H,24,26)
InChIKeyAHNAFZFKKQYFAI-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.85
Rot. Bonds5

About 7-[(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol

7-[(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol (PubChem CID 2906686) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 7-[(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol.

Molecular Properties

Compound Name7-[(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol
PubChem CID2906686
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name7-[(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol
SMILESCOc1ccc(C(Nc2ccccn2)c2ccc3ccc(C)nc3c2O)cc1
InChIInChI=1S/C23H21N3O2/c1-15-6-7-17-10-13-19(23(27)22(17)25-15)21(26-20-5-3-4-14-24-20)16-8-11-18(28-2)12-9-16/h3-14,21,27H,1-2H3,(H,24,26)
InChIKeyAHNAFZFKKQYFAI-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'}

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol?
The IUPAC name of 7-[(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol (CID 2906686) is 7-[(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol.
What is the SMILES notation for 7-[(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol?
The canonical SMILES for 7-[(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol is COc1ccc(C(Nc2ccccn2)c2ccc3ccc(C)nc3c2O)cc1.
What is the InChIKey of 7-[(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol?
The InChIKey is AHNAFZFKKQYFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-15-6-7-17-10-13-19(23(27)22(17)25-15)21(26-20-5-3-4-14-24-20)16-8-11-18(28-2)12-9-16/h3-14,21,27H,1-2H3,(H,24,26).
What are the key properties of 7-[(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol?
7-[(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-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-[(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol is sourced from PubChem (CID 2906686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).