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

C21H18FN5O — CID 118986966

IUPACN-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-quinolin-6-yl-1,3,5-triazin-2-amine
SMILESCOc1nc(NCCc2ccc(F)cc2)nc(-c2ccc3ncccc3c2)n1
InChIInChI=1S/C21H18FN5O/c1-28-21-26-19(16-6-9-18-15(13-16)3-2-11-23-18)25-20(27-21)24-12-10-14-4-7-17(22)8-5-14/h2-9,11,13H,10,12H2,1H3,(H,24,25,26,27)
InChIKeyOYDKXDPXBBJUEW-UHFFFAOYSA-N
MW375.41 g/mol
LogP3.89
Rot. Bonds6

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

N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-quinolin-6-yl-1,3,5-triazin-2-amine (PubChem CID 118986966) has the molecular formula C21H18FN5O and a molecular weight of 375.41 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-quinolin-6-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-quinolin-6-yl-1,3,5-triazin-2-amine
PubChem CID118986966
Molecular FormulaC21H18FN5O
Molecular Weight375.41 g/mol
Exact Mass375.15
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-quinolin-6-yl-1,3,5-triazin-2-amine
SMILESCOc1nc(NCCc2ccc(F)cc2)nc(-c2ccc3ncccc3c2)n1
InChIInChI=1S/C21H18FN5O/c1-28-21-26-19(16-6-9-18-15(13-16)3-2-11-23-18)25-20(27-21)24-12-10-14-4-7-17(22)8-5-14/h2-9,11,13H,10,12H2,1H3,(H,24,25,26,27)
InChIKeyOYDKXDPXBBJUEW-UHFFFAOYSA-N
XLogP3.89
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 53.89
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-quinolin-6-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-quinolin-6-yl-1,3,5-triazin-2-amine (CID 118986966) is N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-quinolin-6-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-quinolin-6-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-quinolin-6-yl-1,3,5-triazin-2-amine is COc1nc(NCCc2ccc(F)cc2)nc(-c2ccc3ncccc3c2)n1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-quinolin-6-yl-1,3,5-triazin-2-amine?
The InChIKey is OYDKXDPXBBJUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O/c1-28-21-26-19(16-6-9-18-15(13-16)3-2-11-23-18)25-20(27-21)24-12-10-14-4-7-17(22)8-5-14/h2-9,11,13H,10,12H2,1H3,(H,24,25,26,27).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-quinolin-6-yl-1,3,5-triazin-2-amine?
N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-quinolin-6-yl-1,3,5-triazin-2-amine has a molecular weight of 375.41 g/mol, XLogP of 3.89, 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-quinolin-6-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 118986966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).