(3R)-3-(4-methoxyphenyl)-7-phenylmethoxy-3-(trifluoromethyl)-4H-quinoline

C24H20F3NO2 — CID 172643296

IUPAC(3R)-3-(4-methoxyphenyl)-7-phenylmethoxy-3-(trifluoromethyl)-4H-quinoline
SMILESCOc1ccc([C@@]2(C(F)(F)F)C=Nc3cc(OCc4ccccc4)ccc3C2)cc1
InChIInChI=1S/C24H20F3NO2/c1-29-20-11-8-19(9-12-20)23(24(25,26)27)14-18-7-10-21(13-22(18)28-16-23)30-15-17-5-3-2-4-6-17/h2-13,16H,14-15H2,1H3/t23-/m0/s1
InChIKeyYNUKQWBFZZXLQK-QHCPKHFHSA-N
MW411.42 g/mol
LogP6.03
Rot. Bonds5

About (3R)-3-(4-methoxyphenyl)-7-phenylmethoxy-3-(trifluoromethyl)-4H-quinoline

(3R)-3-(4-methoxyphenyl)-7-phenylmethoxy-3-(trifluoromethyl)-4H-quinoline (PubChem CID 172643296) has the molecular formula C24H20F3NO2 and a molecular weight of 411.42 g/mol. Its IUPAC name is (3R)-3-(4-methoxyphenyl)-7-phenylmethoxy-3-(trifluoromethyl)-4H-quinoline.

Molecular Properties

Compound Name(3R)-3-(4-methoxyphenyl)-7-phenylmethoxy-3-(trifluoromethyl)-4H-quinoline
PubChem CID172643296
Molecular FormulaC24H20F3NO2
Molecular Weight411.42 g/mol
Exact Mass411.14
IUPAC Name(3R)-3-(4-methoxyphenyl)-7-phenylmethoxy-3-(trifluoromethyl)-4H-quinoline
SMILESCOc1ccc([C@@]2(C(F)(F)F)C=Nc3cc(OCc4ccccc4)ccc3C2)cc1
InChIInChI=1S/C24H20F3NO2/c1-29-20-11-8-19(9-12-20)23(24(25,26)27)14-18-7-10-21(13-22(18)28-16-23)30-15-17-5-3-2-4-6-17/h2-13,16H,14-15H2,1H3/t23-/m0/s1
InChIKeyYNUKQWBFZZXLQK-QHCPKHFHSA-N
XLogP6.03
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.42
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-methoxyphenyl)-7-phenylmethoxy-3-(trifluoromethyl)-4H-quinoline?
The IUPAC name of (3R)-3-(4-methoxyphenyl)-7-phenylmethoxy-3-(trifluoromethyl)-4H-quinoline (CID 172643296) is (3R)-3-(4-methoxyphenyl)-7-phenylmethoxy-3-(trifluoromethyl)-4H-quinoline.
What is the SMILES notation for (3R)-3-(4-methoxyphenyl)-7-phenylmethoxy-3-(trifluoromethyl)-4H-quinoline?
The canonical SMILES for (3R)-3-(4-methoxyphenyl)-7-phenylmethoxy-3-(trifluoromethyl)-4H-quinoline is COc1ccc([C@@]2(C(F)(F)F)C=Nc3cc(OCc4ccccc4)ccc3C2)cc1.
What is the InChIKey of (3R)-3-(4-methoxyphenyl)-7-phenylmethoxy-3-(trifluoromethyl)-4H-quinoline?
The InChIKey is YNUKQWBFZZXLQK-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H20F3NO2/c1-29-20-11-8-19(9-12-20)23(24(25,26)27)14-18-7-10-21(13-22(18)28-16-23)30-15-17-5-3-2-4-6-17/h2-13,16H,14-15H2,1H3/t23-/m0/s1.
What are the key properties of (3R)-3-(4-methoxyphenyl)-7-phenylmethoxy-3-(trifluoromethyl)-4H-quinoline?
(3R)-3-(4-methoxyphenyl)-7-phenylmethoxy-3-(trifluoromethyl)-4H-quinoline has a molecular weight of 411.42 g/mol, XLogP of 6.03, 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)-7-phenylmethoxy-3-(trifluoromethyl)-4H-quinoline is sourced from PubChem (CID 172643296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).