4-methyl-8-(2,3,5-trifluorophenyl)quinolin-3-ol

C16H10F3NO — CID 163389121

IUPAC4-methyl-8-(2,3,5-trifluorophenyl)quinolin-3-ol
SMILESCc1c(O)cnc2c(-c3cc(F)cc(F)c3F)cccc12
InChIInChI=1S/C16H10F3NO/c1-8-10-3-2-4-11(16(10)20-7-14(8)21)12-5-9(17)6-13(18)15(12)19/h2-7,21H,1H3
InChIKeyDJNUYCHSHPADIQ-UHFFFAOYSA-N
MW289.26 g/mol
LogP4.33
Rot. Bonds1

About 4-methyl-8-(2,3,5-trifluorophenyl)quinolin-3-ol

4-methyl-8-(2,3,5-trifluorophenyl)quinolin-3-ol (PubChem CID 163389121) has the molecular formula C16H10F3NO and a molecular weight of 289.26 g/mol. Its IUPAC name is 4-methyl-8-(2,3,5-trifluorophenyl)quinolin-3-ol.

Molecular Properties

Compound Name4-methyl-8-(2,3,5-trifluorophenyl)quinolin-3-ol
PubChem CID163389121
Molecular FormulaC16H10F3NO
Molecular Weight289.26 g/mol
Exact Mass289.07
IUPAC Name4-methyl-8-(2,3,5-trifluorophenyl)quinolin-3-ol
SMILESCc1c(O)cnc2c(-c3cc(F)cc(F)c3F)cccc12
InChIInChI=1S/C16H10F3NO/c1-8-10-3-2-4-11(16(10)20-7-14(8)21)12-5-9(17)6-13(18)15(12)19/h2-7,21H,1H3
InChIKeyDJNUYCHSHPADIQ-UHFFFAOYSA-N
XLogP4.33
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-8-(2,3,5-trifluorophenyl)quinolin-3-ol?
The IUPAC name of 4-methyl-8-(2,3,5-trifluorophenyl)quinolin-3-ol (CID 163389121) is 4-methyl-8-(2,3,5-trifluorophenyl)quinolin-3-ol.
What is the SMILES notation for 4-methyl-8-(2,3,5-trifluorophenyl)quinolin-3-ol?
The canonical SMILES for 4-methyl-8-(2,3,5-trifluorophenyl)quinolin-3-ol is Cc1c(O)cnc2c(-c3cc(F)cc(F)c3F)cccc12.
What is the InChIKey of 4-methyl-8-(2,3,5-trifluorophenyl)quinolin-3-ol?
The InChIKey is DJNUYCHSHPADIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3NO/c1-8-10-3-2-4-11(16(10)20-7-14(8)21)12-5-9(17)6-13(18)15(12)19/h2-7,21H,1H3.
What are the key properties of 4-methyl-8-(2,3,5-trifluorophenyl)quinolin-3-ol?
4-methyl-8-(2,3,5-trifluorophenyl)quinolin-3-ol has a molecular weight of 289.26 g/mol, XLogP of 4.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-8-(2,3,5-trifluorophenyl)quinolin-3-ol is sourced from PubChem (CID 163389121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).