8-chloro-6-[2-[5-(ethoxymethyl)-6-(4-fluorophenyl)-4-methyl-2-pyridinyl]ethyl]-3-(trifluoromethyl)quinoline

C27H23ClF4N2O — CID 164910621

IUPAC8-chloro-6-[2-[5-(ethoxymethyl)-6-(4-fluorophenyl)-4-methyl-2-pyridinyl]ethyl]-3-(trifluoromethyl)quinoline
SMILESCCOCc1c(C)cc(CCc2cc(Cl)c3ncc(C(F)(F)F)cc3c2)nc1-c1ccc(F)cc1
InChIInChI=1S/C27H23ClF4N2O/c1-3-35-15-23-16(2)10-22(34-25(23)18-5-7-21(29)8-6-18)9-4-17-11-19-13-20(27(30,31)32)14-33-26(19)24(28)12-17/h5-8,10-14H,3-4,9,15H2,1-2H3
InChIKeyLBOHKGZPOYWGCZ-UHFFFAOYSA-N
MW502.94 g/mol
LogP7.74
Rot. Bonds7

About 8-chloro-6-[2-[5-(ethoxymethyl)-6-(4-fluorophenyl)-4-methyl-2-pyridinyl]ethyl]-3-(trifluoromethyl)quinoline

8-chloro-6-[2-[5-(ethoxymethyl)-6-(4-fluorophenyl)-4-methyl-2-pyridinyl]ethyl]-3-(trifluoromethyl)quinoline (PubChem CID 164910621) has the molecular formula C27H23ClF4N2O and a molecular weight of 502.94 g/mol. Its IUPAC name is 8-chloro-6-[2-[5-(ethoxymethyl)-6-(4-fluorophenyl)-4-methyl-2-pyridinyl]ethyl]-3-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name8-chloro-6-[2-[5-(ethoxymethyl)-6-(4-fluorophenyl)-4-methyl-2-pyridinyl]ethyl]-3-(trifluoromethyl)quinoline
PubChem CID164910621
Molecular FormulaC27H23ClF4N2O
Molecular Weight502.94 g/mol
Exact Mass502.14
IUPAC Name8-chloro-6-[2-[5-(ethoxymethyl)-6-(4-fluorophenyl)-4-methyl-2-pyridinyl]ethyl]-3-(trifluoromethyl)quinoline
SMILESCCOCc1c(C)cc(CCc2cc(Cl)c3ncc(C(F)(F)F)cc3c2)nc1-c1ccc(F)cc1
InChIInChI=1S/C27H23ClF4N2O/c1-3-35-15-23-16(2)10-22(34-25(23)18-5-7-21(29)8-6-18)9-4-17-11-19-13-20(27(30,31)32)14-33-26(19)24(28)12-17/h5-8,10-14H,3-4,9,15H2,1-2H3
InChIKeyLBOHKGZPOYWGCZ-UHFFFAOYSA-N
XLogP7.74
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.94
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-chloro-6-[2-[5-(ethoxymethyl)-6-(4-fluorophenyl)-4-methyl-2-pyridinyl]ethyl]-3-(trifluoromethyl)quinoline with MolForge

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Related Compounds

(3-Chlorophenyl)-[2,4-dichloro-3-[(4-chlorophenyl)methyl]quinolin-6-yl]-pyridin-3-ylmethanol
CID 74221198
(3-Chlorophenyl)-[2,4-dichloro-3-[(4-fluorophenyl)methyl]quinolin-6-yl]-pyridin-3-ylmethanol
CID 74221199
(3-Chlorophenyl)-[2,4-dichloro-3-[(3-chlorophenyl)methyl]quinolin-6-yl]-pyridin-3-ylmethanol
CID 74221259
[4-Chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-(3-chlorophenyl)-pyridin-3-ylmethanol
CID 74221261
(3-chlorophenyl)-[2,4-dichloro-3-(N-methylanilino)quinolin-6-yl]-pyridin-3-ylmethanol
CID 74223021
(3-chlorophenyl)-[2,4-dichloro-3-(N-ethylanilino)quinolin-6-yl]-pyridin-3-ylmethanol
CID 74223160
N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-[(6-fluoro-2-methoxyquinolin-3-yl)methyl]-1-pyridin-3-ylmethanamine
CID 162669200
US10201546, Example 19
CID 118022497
US10201546, Example 26
CID 118022692
US10201546, Example 29
CID 118022884
US10201546, Example 27
CID 118031206
US10201546, Example 21
CID 118022478

Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-[2-[5-(ethoxymethyl)-6-(4-fluorophenyl)-4-methyl-2-pyridinyl]ethyl]-3-(trifluoromethyl)quinoline?
The IUPAC name of 8-chloro-6-[2-[5-(ethoxymethyl)-6-(4-fluorophenyl)-4-methyl-2-pyridinyl]ethyl]-3-(trifluoromethyl)quinoline (CID 164910621) is 8-chloro-6-[2-[5-(ethoxymethyl)-6-(4-fluorophenyl)-4-methyl-2-pyridinyl]ethyl]-3-(trifluoromethyl)quinoline.
What is the SMILES notation for 8-chloro-6-[2-[5-(ethoxymethyl)-6-(4-fluorophenyl)-4-methyl-2-pyridinyl]ethyl]-3-(trifluoromethyl)quinoline?
The canonical SMILES for 8-chloro-6-[2-[5-(ethoxymethyl)-6-(4-fluorophenyl)-4-methyl-2-pyridinyl]ethyl]-3-(trifluoromethyl)quinoline is CCOCc1c(C)cc(CCc2cc(Cl)c3ncc(C(F)(F)F)cc3c2)nc1-c1ccc(F)cc1.
What is the InChIKey of 8-chloro-6-[2-[5-(ethoxymethyl)-6-(4-fluorophenyl)-4-methyl-2-pyridinyl]ethyl]-3-(trifluoromethyl)quinoline?
The InChIKey is LBOHKGZPOYWGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClF4N2O/c1-3-35-15-23-16(2)10-22(34-25(23)18-5-7-21(29)8-6-18)9-4-17-11-19-13-20(27(30,31)32)14-33-26(19)24(28)12-17/h5-8,10-14H,3-4,9,15H2,1-2H3.
What are the key properties of 8-chloro-6-[2-[5-(ethoxymethyl)-6-(4-fluorophenyl)-4-methyl-2-pyridinyl]ethyl]-3-(trifluoromethyl)quinoline?
8-chloro-6-[2-[5-(ethoxymethyl)-6-(4-fluorophenyl)-4-methyl-2-pyridinyl]ethyl]-3-(trifluoromethyl)quinoline has a molecular weight of 502.94 g/mol, XLogP of 7.74, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-[2-[5-(ethoxymethyl)-6-(4-fluorophenyl)-4-methyl-2-pyridinyl]ethyl]-3-(trifluoromethyl)quinoline is sourced from PubChem (CID 164910621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).