3-(2,2,2-trifluoroethoxy)-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide

C19H12F6N2O2 — CID 154462477

IUPAC3-(2,2,2-trifluoroethoxy)-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide
SMILESNC(=O)c1c(OCC(F)(F)F)c(-c2cccc(C(F)(F)F)c2)nc2ccccc12
InChIInChI=1S/C19H12F6N2O2/c20-18(21,22)9-29-16-14(17(26)28)12-6-1-2-7-13(12)27-15(16)10-4-3-5-11(8-10)19(23,24)25/h1-8H,9H2,(H2,26,28)
InChIKeyNNZJMSKZRVTELD-UHFFFAOYSA-N
MW414.31 g/mol
LogP4.96
Rot. Bonds4

About 3-(2,2,2-trifluoroethoxy)-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide

3-(2,2,2-trifluoroethoxy)-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide (PubChem CID 154462477) has the molecular formula C19H12F6N2O2 and a molecular weight of 414.31 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethoxy)-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethoxy)-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide
PubChem CID154462477
Molecular FormulaC19H12F6N2O2
Molecular Weight414.31 g/mol
Exact Mass414.08
IUPAC Name3-(2,2,2-trifluoroethoxy)-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide
SMILESNC(=O)c1c(OCC(F)(F)F)c(-c2cccc(C(F)(F)F)c2)nc2ccccc12
InChIInChI=1S/C19H12F6N2O2/c20-18(21,22)9-29-16-14(17(26)28)12-6-1-2-7-13(12)27-15(16)10-4-3-5-11(8-10)19(23,24)25/h1-8H,9H2,(H2,26,28)
InChIKeyNNZJMSKZRVTELD-UHFFFAOYSA-N
XLogP4.96
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.31
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(trifluoromethyl)phenyl] 3-phenylcinnoline-4-carboxylate
CID 2822751
2-[3-(trifluoromethyl)phenyl]quinazoline-4-carboxylic acid
CID 90410657
3-amino-2-phenylquinoline-4-carboxamide
CID 140977990
methylsulfonyl 2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylate
CID 123253301
3-[3-(trifluoromethyl)phenyl]quinoline-2-carboxylic acid
CID 154248063
methyl 3,6-dimethyl-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylate
CID 71203264
4-[3-(trifluoromethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide
CID 163816150
3-amino-2-[3-(trifluoromethyl)phenyl]quinazolin-4-one
CID 176686122
2-[3-amino-2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid
CID 134623990
methyl 3-methyl-7-propoxy-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylate
CID 67384427
ethyl 3-[2-methyl-4-[3-(trifluoromethyl)phenyl]quinazolin-6-yl]butanoate
CID 166735027
3-methyl-6-sulfo-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
CID 87379849

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethoxy)-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide?
The IUPAC name of 3-(2,2,2-trifluoroethoxy)-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide (CID 154462477) is 3-(2,2,2-trifluoroethoxy)-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide.
What is the SMILES notation for 3-(2,2,2-trifluoroethoxy)-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide?
The canonical SMILES for 3-(2,2,2-trifluoroethoxy)-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide is NC(=O)c1c(OCC(F)(F)F)c(-c2cccc(C(F)(F)F)c2)nc2ccccc12.
What is the InChIKey of 3-(2,2,2-trifluoroethoxy)-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide?
The InChIKey is NNZJMSKZRVTELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F6N2O2/c20-18(21,22)9-29-16-14(17(26)28)12-6-1-2-7-13(12)27-15(16)10-4-3-5-11(8-10)19(23,24)25/h1-8H,9H2,(H2,26,28).
What are the key properties of 3-(2,2,2-trifluoroethoxy)-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide?
3-(2,2,2-trifluoroethoxy)-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide has a molecular weight of 414.31 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethoxy)-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide is sourced from PubChem (CID 154462477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).