4-(4-methoxyphenyl)-2,8-bis(trifluoromethyl)quinoline

C18H11F6NO — CID 16728095

IUPAC4-(4-methoxyphenyl)-2,8-bis(trifluoromethyl)quinoline
SMILESCOc1ccc(-c2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)cc1
InChIInChI=1S/C18H11F6NO/c1-26-11-7-5-10(6-8-11)13-9-15(18(22,23)24)25-16-12(13)3-2-4-14(16)17(19,20)21/h2-9H,1H3
InChIKeyHDTWFOXTZQPDGY-UHFFFAOYSA-N
MW371.28 g/mol
LogP5.95
Rot. Bonds2

About 4-(4-methoxyphenyl)-2,8-bis(trifluoromethyl)quinoline

4-(4-methoxyphenyl)-2,8-bis(trifluoromethyl)quinoline (PubChem CID 16728095) has the molecular formula C18H11F6NO and a molecular weight of 371.28 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2,8-bis(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2,8-bis(trifluoromethyl)quinoline
PubChem CID16728095
Molecular FormulaC18H11F6NO
Molecular Weight371.28 g/mol
Exact Mass371.07
IUPAC Name4-(4-methoxyphenyl)-2,8-bis(trifluoromethyl)quinoline
SMILESCOc1ccc(-c2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)cc1
InChIInChI=1S/C18H11F6NO/c1-26-11-7-5-10(6-8-11)13-9-15(18(22,23)24)25-16-12(13)3-2-4-14(16)17(19,20)21/h2-9H,1H3
InChIKeyHDTWFOXTZQPDGY-UHFFFAOYSA-N
XLogP5.95
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.28
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-Methoxy-1,2,3,4-tetrahydroacridin-9-amine
CID 3075610
4-Amino-6-methoxy-2-(trifluoromethyl)-3-quinolinecarbonitrile
CID 824060
4-Methoxy-2-Phenylquinoline
CID 826247
7-Methoxytacrine
CID 119053
9-Amino-2-methoxyacridine
CID 18867
8-Methoxy-2-Methylquinoline
CID 316986
9-Methoxyacridine
CID 99383
2-(4-Methoxyphenyl)quinoline
CID 1481967
6-Methoxyquinaldine
CID 70648
6-Ethoxy-2-methylquinoline
CID 81118
7-(3-Methoxyphenyl)-2-methylquinoline
CID 44432660
3-Methoxy-5-(2-methylquinolin-7-yl)benzonitrile
CID 44432680

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2,8-bis(trifluoromethyl)quinoline?
The IUPAC name of 4-(4-methoxyphenyl)-2,8-bis(trifluoromethyl)quinoline (CID 16728095) is 4-(4-methoxyphenyl)-2,8-bis(trifluoromethyl)quinoline.
What is the SMILES notation for 4-(4-methoxyphenyl)-2,8-bis(trifluoromethyl)quinoline?
The canonical SMILES for 4-(4-methoxyphenyl)-2,8-bis(trifluoromethyl)quinoline is COc1ccc(-c2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2,8-bis(trifluoromethyl)quinoline?
The InChIKey is HDTWFOXTZQPDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F6NO/c1-26-11-7-5-10(6-8-11)13-9-15(18(22,23)24)25-16-12(13)3-2-4-14(16)17(19,20)21/h2-9H,1H3.
What are the key properties of 4-(4-methoxyphenyl)-2,8-bis(trifluoromethyl)quinoline?
4-(4-methoxyphenyl)-2,8-bis(trifluoromethyl)quinoline has a molecular weight of 371.28 g/mol, XLogP of 5.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2,8-bis(trifluoromethyl)quinoline is sourced from PubChem (CID 16728095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).