(2,4-dihydroxyphenyl)-[2-methyl-6-[3-(trifluoromethyl)-4-pyridinyl]-3,4-dihydro-2H-quinolin-1-yl]methanone

C23H19F3N2O3 — CID 123280304

IUPAC(2,4-dihydroxyphenyl)-[2-methyl-6-[3-(trifluoromethyl)-4-pyridinyl]-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESCC1CCc2cc(-c3ccncc3C(F)(F)F)ccc2N1C(=O)c1ccc(O)cc1O
InChIInChI=1S/C23H19F3N2O3/c1-13-2-3-15-10-14(17-8-9-27-12-19(17)23(24,25)26)4-7-20(15)28(13)22(31)18-6-5-16(29)11-21(18)30/h4-13,29-30H,2-3H2,1H3
InChIKeyZUZGRFYAGRDPGJ-UHFFFAOYSA-N
MW428.41 g/mol
LogP5.16
Rot. Bonds2

About (2,4-dihydroxyphenyl)-[2-methyl-6-[3-(trifluoromethyl)-4-pyridinyl]-3,4-dihydro-2H-quinolin-1-yl]methanone

(2,4-dihydroxyphenyl)-[2-methyl-6-[3-(trifluoromethyl)-4-pyridinyl]-3,4-dihydro-2H-quinolin-1-yl]methanone (PubChem CID 123280304) has the molecular formula C23H19F3N2O3 and a molecular weight of 428.41 g/mol. Its IUPAC name is (2,4-dihydroxyphenyl)-[2-methyl-6-[3-(trifluoromethyl)-4-pyridinyl]-3,4-dihydro-2H-quinolin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dihydroxyphenyl)-[2-methyl-6-[3-(trifluoromethyl)-4-pyridinyl]-3,4-dihydro-2H-quinolin-1-yl]methanone
PubChem CID123280304
Molecular FormulaC23H19F3N2O3
Molecular Weight428.41 g/mol
Exact Mass428.13
IUPAC Name(2,4-dihydroxyphenyl)-[2-methyl-6-[3-(trifluoromethyl)-4-pyridinyl]-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESCC1CCc2cc(-c3ccncc3C(F)(F)F)ccc2N1C(=O)c1ccc(O)cc1O
InChIInChI=1S/C23H19F3N2O3/c1-13-2-3-15-10-14(17-8-9-27-12-19(17)23(24,25)26)4-7-20(15)28(13)22(31)18-6-5-16(29)11-21(18)30/h4-13,29-30H,2-3H2,1H3
InChIKeyZUZGRFYAGRDPGJ-UHFFFAOYSA-N
XLogP5.16
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.41
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,4-dihydroxyphenyl)-[2-methyl-6-[3-(trifluoromethyl)-4-pyridinyl]-3,4-dihydro-2H-quinolin-1-yl]methanone?
The IUPAC name of (2,4-dihydroxyphenyl)-[2-methyl-6-[3-(trifluoromethyl)-4-pyridinyl]-3,4-dihydro-2H-quinolin-1-yl]methanone (CID 123280304) is (2,4-dihydroxyphenyl)-[2-methyl-6-[3-(trifluoromethyl)-4-pyridinyl]-3,4-dihydro-2H-quinolin-1-yl]methanone.
What is the SMILES notation for (2,4-dihydroxyphenyl)-[2-methyl-6-[3-(trifluoromethyl)-4-pyridinyl]-3,4-dihydro-2H-quinolin-1-yl]methanone?
The canonical SMILES for (2,4-dihydroxyphenyl)-[2-methyl-6-[3-(trifluoromethyl)-4-pyridinyl]-3,4-dihydro-2H-quinolin-1-yl]methanone is CC1CCc2cc(-c3ccncc3C(F)(F)F)ccc2N1C(=O)c1ccc(O)cc1O.
What is the InChIKey of (2,4-dihydroxyphenyl)-[2-methyl-6-[3-(trifluoromethyl)-4-pyridinyl]-3,4-dihydro-2H-quinolin-1-yl]methanone?
The InChIKey is ZUZGRFYAGRDPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O3/c1-13-2-3-15-10-14(17-8-9-27-12-19(17)23(24,25)26)4-7-20(15)28(13)22(31)18-6-5-16(29)11-21(18)30/h4-13,29-30H,2-3H2,1H3.
What are the key properties of (2,4-dihydroxyphenyl)-[2-methyl-6-[3-(trifluoromethyl)-4-pyridinyl]-3,4-dihydro-2H-quinolin-1-yl]methanone?
(2,4-dihydroxyphenyl)-[2-methyl-6-[3-(trifluoromethyl)-4-pyridinyl]-3,4-dihydro-2H-quinolin-1-yl]methanone has a molecular weight of 428.41 g/mol, XLogP of 5.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dihydroxyphenyl)-[2-methyl-6-[3-(trifluoromethyl)-4-pyridinyl]-3,4-dihydro-2H-quinolin-1-yl]methanone is sourced from PubChem (CID 123280304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).