(3R)-3-(4-methoxyphenyl)-6-prop-2-enoxy-3-(trifluoromethyl)-4H-quinoline

C20H18F3NO2 — CID 172643178

IUPAC(3R)-3-(4-methoxyphenyl)-6-prop-2-enoxy-3-(trifluoromethyl)-4H-quinoline
SMILESC=CCOc1ccc2c(c1)C[C@](c1ccc(OC)cc1)(C(F)(F)F)C=N2
InChIInChI=1S/C20H18F3NO2/c1-3-10-26-17-8-9-18-14(11-17)12-19(13-24-18,20(21,22)23)15-4-6-16(25-2)7-5-15/h3-9,11,13H,1,10,12H2,2H3/t19-/m0/s1
InChIKeyVDZKSCRTTZYYPM-IBGZPJMESA-N
MW361.36 g/mol
LogP5.02
Rot. Bonds5

About (3R)-3-(4-methoxyphenyl)-6-prop-2-enoxy-3-(trifluoromethyl)-4H-quinoline

(3R)-3-(4-methoxyphenyl)-6-prop-2-enoxy-3-(trifluoromethyl)-4H-quinoline (PubChem CID 172643178) has the molecular formula C20H18F3NO2 and a molecular weight of 361.36 g/mol. Its IUPAC name is (3R)-3-(4-methoxyphenyl)-6-prop-2-enoxy-3-(trifluoromethyl)-4H-quinoline.

Molecular Properties

Compound Name(3R)-3-(4-methoxyphenyl)-6-prop-2-enoxy-3-(trifluoromethyl)-4H-quinoline
PubChem CID172643178
Molecular FormulaC20H18F3NO2
Molecular Weight361.36 g/mol
Exact Mass361.13
IUPAC Name(3R)-3-(4-methoxyphenyl)-6-prop-2-enoxy-3-(trifluoromethyl)-4H-quinoline
SMILESC=CCOc1ccc2c(c1)C[C@](c1ccc(OC)cc1)(C(F)(F)F)C=N2
InChIInChI=1S/C20H18F3NO2/c1-3-10-26-17-8-9-18-14(11-17)12-19(13-24-18,20(21,22)23)15-4-6-16(25-2)7-5-15/h3-9,11,13H,1,10,12H2,2H3/t19-/m0/s1
InChIKeyVDZKSCRTTZYYPM-IBGZPJMESA-N
XLogP5.02
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.36
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-methoxyphenyl)-6-prop-2-enoxy-3-(trifluoromethyl)-4H-quinoline?
The IUPAC name of (3R)-3-(4-methoxyphenyl)-6-prop-2-enoxy-3-(trifluoromethyl)-4H-quinoline (CID 172643178) is (3R)-3-(4-methoxyphenyl)-6-prop-2-enoxy-3-(trifluoromethyl)-4H-quinoline.
What is the SMILES notation for (3R)-3-(4-methoxyphenyl)-6-prop-2-enoxy-3-(trifluoromethyl)-4H-quinoline?
The canonical SMILES for (3R)-3-(4-methoxyphenyl)-6-prop-2-enoxy-3-(trifluoromethyl)-4H-quinoline is C=CCOc1ccc2c(c1)C[C@](c1ccc(OC)cc1)(C(F)(F)F)C=N2.
What is the InChIKey of (3R)-3-(4-methoxyphenyl)-6-prop-2-enoxy-3-(trifluoromethyl)-4H-quinoline?
The InChIKey is VDZKSCRTTZYYPM-IBGZPJMESA-N. The full InChI is InChI=1S/C20H18F3NO2/c1-3-10-26-17-8-9-18-14(11-17)12-19(13-24-18,20(21,22)23)15-4-6-16(25-2)7-5-15/h3-9,11,13H,1,10,12H2,2H3/t19-/m0/s1.
What are the key properties of (3R)-3-(4-methoxyphenyl)-6-prop-2-enoxy-3-(trifluoromethyl)-4H-quinoline?
(3R)-3-(4-methoxyphenyl)-6-prop-2-enoxy-3-(trifluoromethyl)-4H-quinoline has a molecular weight of 361.36 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-methoxyphenyl)-6-prop-2-enoxy-3-(trifluoromethyl)-4H-quinoline is sourced from PubChem (CID 172643178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).