N-[[2-(4-fluorophenyl)-6-methylquinolin-3-yl]methyl]-1-(1,2-oxazol-3-yl)methanamine

C21H18FN3O — CID 118758838

IUPACN-[[2-(4-fluorophenyl)-6-methylquinolin-3-yl]methyl]-1-(1,2-oxazol-3-yl)methanamine
SMILESCc1ccc2nc(-c3ccc(F)cc3)c(CNCc3ccon3)cc2c1
InChIInChI=1S/C21H18FN3O/c1-14-2-7-20-16(10-14)11-17(12-23-13-19-8-9-26-25-19)21(24-20)15-3-5-18(22)6-4-15/h2-11,23H,12-13H2,1H3
InChIKeyUCHDIFXTXQZRDK-UHFFFAOYSA-N
MW347.39 g/mol
LogP4.63
Rot. Bonds5

About N-[[2-(4-fluorophenyl)-6-methylquinolin-3-yl]methyl]-1-(1,2-oxazol-3-yl)methanamine

N-[[2-(4-fluorophenyl)-6-methylquinolin-3-yl]methyl]-1-(1,2-oxazol-3-yl)methanamine (PubChem CID 118758838) has the molecular formula C21H18FN3O and a molecular weight of 347.39 g/mol. Its IUPAC name is N-[[2-(4-fluorophenyl)-6-methylquinolin-3-yl]methyl]-1-(1,2-oxazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[[2-(4-fluorophenyl)-6-methylquinolin-3-yl]methyl]-1-(1,2-oxazol-3-yl)methanamine
PubChem CID118758838
Molecular FormulaC21H18FN3O
Molecular Weight347.39 g/mol
Exact Mass347.14
IUPAC NameN-[[2-(4-fluorophenyl)-6-methylquinolin-3-yl]methyl]-1-(1,2-oxazol-3-yl)methanamine
SMILESCc1ccc2nc(-c3ccc(F)cc3)c(CNCc3ccon3)cc2c1
InChIInChI=1S/C21H18FN3O/c1-14-2-7-20-16(10-14)11-17(12-23-13-19-8-9-26-25-19)21(24-20)15-3-5-18(22)6-4-15/h2-11,23H,12-13H2,1H3
InChIKeyUCHDIFXTXQZRDK-UHFFFAOYSA-N
XLogP4.63
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-fluorophenyl)-6-methylquinolin-3-yl]methyl]-1-(1,2-oxazol-3-yl)methanamine?
The IUPAC name of N-[[2-(4-fluorophenyl)-6-methylquinolin-3-yl]methyl]-1-(1,2-oxazol-3-yl)methanamine (CID 118758838) is N-[[2-(4-fluorophenyl)-6-methylquinolin-3-yl]methyl]-1-(1,2-oxazol-3-yl)methanamine.
What is the SMILES notation for N-[[2-(4-fluorophenyl)-6-methylquinolin-3-yl]methyl]-1-(1,2-oxazol-3-yl)methanamine?
The canonical SMILES for N-[[2-(4-fluorophenyl)-6-methylquinolin-3-yl]methyl]-1-(1,2-oxazol-3-yl)methanamine is Cc1ccc2nc(-c3ccc(F)cc3)c(CNCc3ccon3)cc2c1.
What is the InChIKey of N-[[2-(4-fluorophenyl)-6-methylquinolin-3-yl]methyl]-1-(1,2-oxazol-3-yl)methanamine?
The InChIKey is UCHDIFXTXQZRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O/c1-14-2-7-20-16(10-14)11-17(12-23-13-19-8-9-26-25-19)21(24-20)15-3-5-18(22)6-4-15/h2-11,23H,12-13H2,1H3.
What are the key properties of N-[[2-(4-fluorophenyl)-6-methylquinolin-3-yl]methyl]-1-(1,2-oxazol-3-yl)methanamine?
N-[[2-(4-fluorophenyl)-6-methylquinolin-3-yl]methyl]-1-(1,2-oxazol-3-yl)methanamine has a molecular weight of 347.39 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-fluorophenyl)-6-methylquinolin-3-yl]methyl]-1-(1,2-oxazol-3-yl)methanamine is sourced from PubChem (CID 118758838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).