N-(furan-2-ylmethyl)-6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-amine

C23H19F3N2O3 — CID 24857833

IUPACN-(furan-2-ylmethyl)-6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-amine
SMILESCOc1cc(NCc2ccco2)c2nccc(C)c2c1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H19F3N2O3/c1-14-8-9-27-21-18(28-13-17-7-4-10-30-17)12-19(29-2)22(20(14)21)31-16-6-3-5-15(11-16)23(24,25)26/h3-12,28H,13H2,1-2H3
InChIKeyNQWLDYQSVOCLKR-UHFFFAOYSA-N
MW428.41 g/mol
LogP6.57
Rot. Bonds6

About N-(furan-2-ylmethyl)-6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-amine

N-(furan-2-ylmethyl)-6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-amine (PubChem CID 24857833) has the molecular formula C23H19F3N2O3 and a molecular weight of 428.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-amine
PubChem CID24857833
Molecular FormulaC23H19F3N2O3
Molecular Weight428.41 g/mol
Exact Mass428.13
IUPAC NameN-(furan-2-ylmethyl)-6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-amine
SMILESCOc1cc(NCc2ccco2)c2nccc(C)c2c1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H19F3N2O3/c1-14-8-9-27-21-18(28-13-17-7-4-10-30-17)12-19(29-2)22(20(14)21)31-16-6-3-5-15(11-16)23(24,25)26/h3-12,28H,13H2,1-2H3
InChIKeyNQWLDYQSVOCLKR-UHFFFAOYSA-N
XLogP6.57
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.41
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-amine?
The IUPAC name of N-(furan-2-ylmethyl)-6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-amine (CID 24857833) is N-(furan-2-ylmethyl)-6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-amine is COc1cc(NCc2ccco2)c2nccc(C)c2c1Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-amine?
The InChIKey is NQWLDYQSVOCLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O3/c1-14-8-9-27-21-18(28-13-17-7-4-10-30-17)12-19(29-2)22(20(14)21)31-16-6-3-5-15(11-16)23(24,25)26/h3-12,28H,13H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-amine?
N-(furan-2-ylmethyl)-6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-amine has a molecular weight of 428.41 g/mol, XLogP of 6.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-amine is sourced from PubChem (CID 24857833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).