2-methyl-7-[2-pyridin-3-yl-1-[2,3,5,6-tetrafluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]quinolin-8-ol

C25H17F7N2O2 — CID 58542874

IUPAC2-methyl-7-[2-pyridin-3-yl-1-[2,3,5,6-tetrafluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]quinolin-8-ol
SMILESCc1ccc2ccc(C(Cc3cccnc3)c3c(F)c(F)c(OCC(F)(F)F)c(F)c3F)c(O)c2n1
InChIInChI=1S/C25H17F7N2O2/c1-12-4-5-14-6-7-15(23(35)22(14)34-12)16(9-13-3-2-8-33-10-13)17-18(26)20(28)24(21(29)19(17)27)36-11-25(30,31)32/h2-8,10,16,35H,9,11H2,1H3
InChIKeyZLDHTDCKKCOTFW-UHFFFAOYSA-N
MW510.41 g/mol
LogP6.52
Rot. Bonds6

About 2-methyl-7-[2-pyridin-3-yl-1-[2,3,5,6-tetrafluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]quinolin-8-ol

2-methyl-7-[2-pyridin-3-yl-1-[2,3,5,6-tetrafluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]quinolin-8-ol (PubChem CID 58542874) has the molecular formula C25H17F7N2O2 and a molecular weight of 510.41 g/mol. Its IUPAC name is 2-methyl-7-[2-pyridin-3-yl-1-[2,3,5,6-tetrafluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]quinolin-8-ol.

Molecular Properties

Compound Name2-methyl-7-[2-pyridin-3-yl-1-[2,3,5,6-tetrafluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]quinolin-8-ol
PubChem CID58542874
Molecular FormulaC25H17F7N2O2
Molecular Weight510.41 g/mol
Exact Mass510.12
IUPAC Name2-methyl-7-[2-pyridin-3-yl-1-[2,3,5,6-tetrafluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]quinolin-8-ol
SMILESCc1ccc2ccc(C(Cc3cccnc3)c3c(F)c(F)c(OCC(F)(F)F)c(F)c3F)c(O)c2n1
InChIInChI=1S/C25H17F7N2O2/c1-12-4-5-14-6-7-15(23(35)22(14)34-12)16(9-13-3-2-8-33-10-13)17-18(26)20(28)24(21(29)19(17)27)36-11-25(30,31)32/h2-8,10,16,35H,9,11H2,1H3
InChIKeyZLDHTDCKKCOTFW-UHFFFAOYSA-N
XLogP6.52
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.41
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

Imlunestrant
CID 146603228
7-[(4-Ethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methyl]quinolin-8-ol
CID 3384730
Unii-8KG95Q2dqh
CID 25268906
3-[(4-Methoxyphenyl)methyl]-2,4-dihydropyrido[3,2-h][1,3]benzoxazine
CID 326315
8-Quinolinol, 7,7'-[(4-methoxyphenyl)methylene]bis-
CID 361376
5-[[4-(2-Methoxyphenyl)piperazin-1-yl]methyl]quinolin-8-ol
CID 2303849
7-[Morpholin-4-yl(pyridin-2-yl)methyl]quinolin-8-ol
CID 2999043
5-Methoxymethyl-7-piperidin-1-ylmethyl-quinolin-8-ol
CID 598979
5-(Methoxymethyl)-7-[(4-methylpiperazin-1-yl)methyl]quinolin-8-ol
CID 683744
5-[(8-Hydroxyquinolin-5-yl)methyl]quinolin-8-ol
CID 761547
7-(Morpholin-4-ylmethyl)quinolin-8-ol
CID 378890
8-Quinolinol, 7-(4-ethyl-1-methyloctyl)-
CID 166430

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-[2-pyridin-3-yl-1-[2,3,5,6-tetrafluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]quinolin-8-ol?
The IUPAC name of 2-methyl-7-[2-pyridin-3-yl-1-[2,3,5,6-tetrafluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]quinolin-8-ol (CID 58542874) is 2-methyl-7-[2-pyridin-3-yl-1-[2,3,5,6-tetrafluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]quinolin-8-ol.
What is the SMILES notation for 2-methyl-7-[2-pyridin-3-yl-1-[2,3,5,6-tetrafluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]quinolin-8-ol?
The canonical SMILES for 2-methyl-7-[2-pyridin-3-yl-1-[2,3,5,6-tetrafluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]quinolin-8-ol is Cc1ccc2ccc(C(Cc3cccnc3)c3c(F)c(F)c(OCC(F)(F)F)c(F)c3F)c(O)c2n1.
What is the InChIKey of 2-methyl-7-[2-pyridin-3-yl-1-[2,3,5,6-tetrafluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]quinolin-8-ol?
The InChIKey is ZLDHTDCKKCOTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F7N2O2/c1-12-4-5-14-6-7-15(23(35)22(14)34-12)16(9-13-3-2-8-33-10-13)17-18(26)20(28)24(21(29)19(17)27)36-11-25(30,31)32/h2-8,10,16,35H,9,11H2,1H3.
What are the key properties of 2-methyl-7-[2-pyridin-3-yl-1-[2,3,5,6-tetrafluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]quinolin-8-ol?
2-methyl-7-[2-pyridin-3-yl-1-[2,3,5,6-tetrafluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]quinolin-8-ol has a molecular weight of 510.41 g/mol, XLogP of 6.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-[2-pyridin-3-yl-1-[2,3,5,6-tetrafluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]quinolin-8-ol is sourced from PubChem (CID 58542874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).