2-[7-[(3,4,5-trifluorophenyl)methoxy]quinolin-3-yl]propan-2-ol

C19H16F3NO2 — CID 86301174

IUPAC2-[7-[(3,4,5-trifluorophenyl)methoxy]quinolin-3-yl]propan-2-ol
SMILESCC(C)(O)c1cnc2cc(OCc3cc(F)c(F)c(F)c3)ccc2c1
InChIInChI=1S/C19H16F3NO2/c1-19(2,24)13-7-12-3-4-14(8-17(12)23-9-13)25-10-11-5-15(20)18(22)16(21)6-11/h3-9,24H,10H2,1-2H3
InChIKeyIUPYYBDVEILKQA-UHFFFAOYSA-N
MW347.34 g/mol
LogP4.46
Rot. Bonds4

About 2-[7-[(3,4,5-trifluorophenyl)methoxy]quinolin-3-yl]propan-2-ol

2-[7-[(3,4,5-trifluorophenyl)methoxy]quinolin-3-yl]propan-2-ol (PubChem CID 86301174) has the molecular formula C19H16F3NO2 and a molecular weight of 347.34 g/mol. Its IUPAC name is 2-[7-[(3,4,5-trifluorophenyl)methoxy]quinolin-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[7-[(3,4,5-trifluorophenyl)methoxy]quinolin-3-yl]propan-2-ol
PubChem CID86301174
Molecular FormulaC19H16F3NO2
Molecular Weight347.34 g/mol
Exact Mass347.11
IUPAC Name2-[7-[(3,4,5-trifluorophenyl)methoxy]quinolin-3-yl]propan-2-ol
SMILESCC(C)(O)c1cnc2cc(OCc3cc(F)c(F)c(F)c3)ccc2c1
InChIInChI=1S/C19H16F3NO2/c1-19(2,24)13-7-12-3-4-14(8-17(12)23-9-13)25-10-11-5-15(20)18(22)16(21)6-11/h3-9,24H,10H2,1-2H3
InChIKeyIUPYYBDVEILKQA-UHFFFAOYSA-N
XLogP4.46
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

Imlunestrant
CID 146603228
4-(4-Hydroxy-3-methylphenyl)quinolin-7-ol
CID 135567366
4-(7-Methoxyquinolin-4-yl)-2-methylphenol
CID 135567383
7-Benzyloxyquinoline
CID 3035604
6,7-Dimethoxy-3-(4-methoxy-phenyl)-quinoline
CID 9882618
3-(3-Fluoro-phenyl)-6,7-dimethoxy-quinoline
CID 9971060
6,7-Dimethoxy-3-((E)-styryl)-quinoline
CID 10017166
3-(4-Fluoro-phenyl)-6,7-dimethoxy-quinoline
CID 10039460
3-(2-Cyclohexyl-ethyl)-6,7-dimethoxy-quinoline
CID 10040402
3-(3,4-Difluoro-phenyl)-6,7-dimethoxy-quinoline
CID 10402592
6,7-Dimethoxy-3-phenyl-quinoline
CID 10422972
7-Methoxy-3-pyridin-4-yl-quinoline
CID 11776270

Frequently Asked Questions

What is the IUPAC name of 2-[7-[(3,4,5-trifluorophenyl)methoxy]quinolin-3-yl]propan-2-ol?
The IUPAC name of 2-[7-[(3,4,5-trifluorophenyl)methoxy]quinolin-3-yl]propan-2-ol (CID 86301174) is 2-[7-[(3,4,5-trifluorophenyl)methoxy]quinolin-3-yl]propan-2-ol.
What is the SMILES notation for 2-[7-[(3,4,5-trifluorophenyl)methoxy]quinolin-3-yl]propan-2-ol?
The canonical SMILES for 2-[7-[(3,4,5-trifluorophenyl)methoxy]quinolin-3-yl]propan-2-ol is CC(C)(O)c1cnc2cc(OCc3cc(F)c(F)c(F)c3)ccc2c1.
What is the InChIKey of 2-[7-[(3,4,5-trifluorophenyl)methoxy]quinolin-3-yl]propan-2-ol?
The InChIKey is IUPYYBDVEILKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3NO2/c1-19(2,24)13-7-12-3-4-14(8-17(12)23-9-13)25-10-11-5-15(20)18(22)16(21)6-11/h3-9,24H,10H2,1-2H3.
What are the key properties of 2-[7-[(3,4,5-trifluorophenyl)methoxy]quinolin-3-yl]propan-2-ol?
2-[7-[(3,4,5-trifluorophenyl)methoxy]quinolin-3-yl]propan-2-ol has a molecular weight of 347.34 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[(3,4,5-trifluorophenyl)methoxy]quinolin-3-yl]propan-2-ol is sourced from PubChem (CID 86301174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).