4-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine

C22H24FN5O3 — CID 23536085

IUPAC4-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
SMILESCOc1cc(Nc2ncnc(N3c4ccc(F)cc4CCC3C)n2)cc(OC)c1OC
InChIInChI=1S/C22H24FN5O3/c1-13-5-6-14-9-15(23)7-8-17(14)28(13)22-25-12-24-21(27-22)26-16-10-18(29-2)20(31-4)19(11-16)30-3/h7-13H,5-6H2,1-4H3,(H,24,25,26,27)
InChIKeySDZPXWKCAFKLAF-UHFFFAOYSA-N
MW425.46 g/mol
LogP4.25
Rot. Bonds6

About 4-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine

4-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine (PubChem CID 23536085) has the molecular formula C22H24FN5O3 and a molecular weight of 425.46 g/mol. Its IUPAC name is 4-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
PubChem CID23536085
Molecular FormulaC22H24FN5O3
Molecular Weight425.46 g/mol
Exact Mass425.19
IUPAC Name4-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
SMILESCOc1cc(Nc2ncnc(N3c4ccc(F)cc4CCC3C)n2)cc(OC)c1OC
InChIInChI=1S/C22H24FN5O3/c1-13-5-6-14-9-15(23)7-8-17(14)28(13)22-25-12-24-21(27-22)26-16-10-18(29-2)20(31-4)19(11-16)30-3/h7-13H,5-6H2,1-4H3,(H,24,25,26,27)
InChIKeySDZPXWKCAFKLAF-UHFFFAOYSA-N
XLogP4.25
TPSA81.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine (CID 23536085) is 4-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine is COc1cc(Nc2ncnc(N3c4ccc(F)cc4CCC3C)n2)cc(OC)c1OC.
What is the InChIKey of 4-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine?
The InChIKey is SDZPXWKCAFKLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O3/c1-13-5-6-14-9-15(23)7-8-17(14)28(13)22-25-12-24-21(27-22)26-16-10-18(29-2)20(31-4)19(11-16)30-3/h7-13H,5-6H2,1-4H3,(H,24,25,26,27).
What are the key properties of 4-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine?
4-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine has a molecular weight of 425.46 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 23536085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).