7-[(4-fluorophenyl)-(pyridin-3-ylamino)methyl]-2-methylquinolin-8-ol

C22H18FN3O — CID 58533644

IUPAC7-[(4-fluorophenyl)-(pyridin-3-ylamino)methyl]-2-methylquinolin-8-ol
SMILESCc1ccc2ccc(C(Nc3cccnc3)c3ccc(F)cc3)c(O)c2n1
InChIInChI=1S/C22H18FN3O/c1-14-4-5-16-8-11-19(22(27)21(16)25-14)20(15-6-9-17(23)10-7-15)26-18-3-2-12-24-13-18/h2-13,20,26-27H,1H3
InChIKeyFXKPJEBJBJBKQS-UHFFFAOYSA-N
MW359.40 g/mol
LogP4.98
Rot. Bonds4

About 7-[(4-fluorophenyl)-(pyridin-3-ylamino)methyl]-2-methylquinolin-8-ol

7-[(4-fluorophenyl)-(pyridin-3-ylamino)methyl]-2-methylquinolin-8-ol (PubChem CID 58533644) has the molecular formula C22H18FN3O and a molecular weight of 359.40 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)-(pyridin-3-ylamino)methyl]-2-methylquinolin-8-ol.

Molecular Properties

Compound Name7-[(4-fluorophenyl)-(pyridin-3-ylamino)methyl]-2-methylquinolin-8-ol
PubChem CID58533644
Molecular FormulaC22H18FN3O
Molecular Weight359.40 g/mol
Exact Mass359.14
IUPAC Name7-[(4-fluorophenyl)-(pyridin-3-ylamino)methyl]-2-methylquinolin-8-ol
SMILESCc1ccc2ccc(C(Nc3cccnc3)c3ccc(F)cc3)c(O)c2n1
InChIInChI=1S/C22H18FN3O/c1-14-4-5-16-8-11-19(22(27)21(16)25-14)20(15-6-9-17(23)10-7-15)26-18-3-2-12-24-13-18/h2-13,20,26-27H,1H3
InChIKeyFXKPJEBJBJBKQS-UHFFFAOYSA-N
XLogP4.98
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-fluorophenyl)-(pyridin-3-ylamino)methyl]-2-methylquinolin-8-ol?
The IUPAC name of 7-[(4-fluorophenyl)-(pyridin-3-ylamino)methyl]-2-methylquinolin-8-ol (CID 58533644) is 7-[(4-fluorophenyl)-(pyridin-3-ylamino)methyl]-2-methylquinolin-8-ol.
What is the SMILES notation for 7-[(4-fluorophenyl)-(pyridin-3-ylamino)methyl]-2-methylquinolin-8-ol?
The canonical SMILES for 7-[(4-fluorophenyl)-(pyridin-3-ylamino)methyl]-2-methylquinolin-8-ol is Cc1ccc2ccc(C(Nc3cccnc3)c3ccc(F)cc3)c(O)c2n1.
What is the InChIKey of 7-[(4-fluorophenyl)-(pyridin-3-ylamino)methyl]-2-methylquinolin-8-ol?
The InChIKey is FXKPJEBJBJBKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O/c1-14-4-5-16-8-11-19(22(27)21(16)25-14)20(15-6-9-17(23)10-7-15)26-18-3-2-12-24-13-18/h2-13,20,26-27H,1H3.
What are the key properties of 7-[(4-fluorophenyl)-(pyridin-3-ylamino)methyl]-2-methylquinolin-8-ol?
7-[(4-fluorophenyl)-(pyridin-3-ylamino)methyl]-2-methylquinolin-8-ol has a molecular weight of 359.40 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)-(pyridin-3-ylamino)methyl]-2-methylquinolin-8-ol is sourced from PubChem (CID 58533644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).