N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(8-methylquinolin-5-yl)-1,3,5-triazin-2-amine

C22H20FN5O — CID 118986968

IUPACN-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(8-methylquinolin-5-yl)-1,3,5-triazin-2-amine
SMILESCOc1nc(NCCc2ccc(F)cc2)nc(-c2ccc(C)c3ncccc23)n1
InChIInChI=1S/C22H20FN5O/c1-14-5-10-18(17-4-3-12-24-19(14)17)20-26-21(28-22(27-20)29-2)25-13-11-15-6-8-16(23)9-7-15/h3-10,12H,11,13H2,1-2H3,(H,25,26,27,28)
InChIKeyFKKCWZQLSLQKIC-UHFFFAOYSA-N
MW389.43 g/mol
LogP4.20
Rot. Bonds6

About N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(8-methylquinolin-5-yl)-1,3,5-triazin-2-amine

N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(8-methylquinolin-5-yl)-1,3,5-triazin-2-amine (PubChem CID 118986968) has the molecular formula C22H20FN5O and a molecular weight of 389.43 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(8-methylquinolin-5-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(8-methylquinolin-5-yl)-1,3,5-triazin-2-amine
PubChem CID118986968
Molecular FormulaC22H20FN5O
Molecular Weight389.43 g/mol
Exact Mass389.17
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(8-methylquinolin-5-yl)-1,3,5-triazin-2-amine
SMILESCOc1nc(NCCc2ccc(F)cc2)nc(-c2ccc(C)c3ncccc23)n1
InChIInChI=1S/C22H20FN5O/c1-14-5-10-18(17-4-3-12-24-19(14)17)20-26-21(28-22(27-20)29-2)25-13-11-15-6-8-16(23)9-7-15/h3-10,12H,11,13H2,1-2H3,(H,25,26,27,28)
InChIKeyFKKCWZQLSLQKIC-UHFFFAOYSA-N
XLogP4.20
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(8-methylquinolin-5-yl)-1,3,5-triazin-2-amine?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(8-methylquinolin-5-yl)-1,3,5-triazin-2-amine (CID 118986968) is N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(8-methylquinolin-5-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(8-methylquinolin-5-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(8-methylquinolin-5-yl)-1,3,5-triazin-2-amine is COc1nc(NCCc2ccc(F)cc2)nc(-c2ccc(C)c3ncccc23)n1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(8-methylquinolin-5-yl)-1,3,5-triazin-2-amine?
The InChIKey is FKKCWZQLSLQKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O/c1-14-5-10-18(17-4-3-12-24-19(14)17)20-26-21(28-22(27-20)29-2)25-13-11-15-6-8-16(23)9-7-15/h3-10,12H,11,13H2,1-2H3,(H,25,26,27,28).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(8-methylquinolin-5-yl)-1,3,5-triazin-2-amine?
N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(8-methylquinolin-5-yl)-1,3,5-triazin-2-amine has a molecular weight of 389.43 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(8-methylquinolin-5-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 118986968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).