ethyl 7-[[4-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate

C20H16F3NO3 — CID 86296267

IUPACethyl 7-[[4-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(OCc3ccc(C(F)(F)F)cc3)ccc2c1
InChIInChI=1S/C20H16F3NO3/c1-2-26-19(25)15-9-14-5-8-17(10-18(14)24-11-15)27-12-13-3-6-16(7-4-13)20(21,22)23/h3-11H,2,12H2,1H3
InChIKeyHORJLBWVOKANPR-UHFFFAOYSA-N
MW375.35 g/mol
LogP5.01
Rot. Bonds5

About ethyl 7-[[4-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate

ethyl 7-[[4-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate (PubChem CID 86296267) has the molecular formula C20H16F3NO3 and a molecular weight of 375.35 g/mol. Its IUPAC name is ethyl 7-[[4-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-[[4-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate
PubChem CID86296267
Molecular FormulaC20H16F3NO3
Molecular Weight375.35 g/mol
Exact Mass375.11
IUPAC Nameethyl 7-[[4-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(OCc3ccc(C(F)(F)F)cc3)ccc2c1
InChIInChI=1S/C20H16F3NO3/c1-2-26-19(25)15-9-14-5-8-17(10-18(14)24-11-15)27-12-13-3-6-16(7-4-13)20(21,22)23/h3-11H,2,12H2,1H3
InChIKeyHORJLBWVOKANPR-UHFFFAOYSA-N
XLogP5.01
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.35
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 4-chloro-6-methoxyquinoline-3-carboxylate
CID 304558
HPGDS inhibitor 2
CID 129247606
4-{3-[3-Benzoyl-8-(trifluoromethyl)quinolin-4-yl]phenoxymethyl}benzoic acid
CID 11261037
Methyl 4-{3-[3-benzoyl-8-(trifluoromethyl)quinolin-4-yl]phenoxymethyl}benzoate
CID 16090326
4-{4-[3-Benzoyl-8-(trifluoromethyl)quinolin-4-yl]phenoxymethyl}benzoic acid
CID 16090328
2-(4-{3-[3-Benzoyl-8-(trifluoromethyl)quinolin-4-yl]phenoxymethyl}phenyl)acetic acid
CID 16090329
Methyl 3-{3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy}benzoate
CID 44472980
3-Methyl quinoline, 8b
CID 44472985
7-Methoxy-3-methyl-2-[5-[4-(trifluoromethyloxy)phenyl]pyridin-3-yl]quinolin-4-ol
CID 67617600
Ethyl 1-[6-ethoxy-3-(4-methylbenzoyl)quinolin-4-yl]piperidine-3-carboxylate
CID 16010859
Ethyl 4-amino-6-methoxyquinoline-3-carboxylate
CID 16644472
2-[7-[(3-Fluorophenyl)methoxy]quinolin-3-yl]acetamide
CID 86296847

Frequently Asked Questions

What is the IUPAC name of ethyl 7-[[4-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate?
The IUPAC name of ethyl 7-[[4-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate (CID 86296267) is ethyl 7-[[4-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 7-[[4-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate?
The canonical SMILES for ethyl 7-[[4-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate is CCOC(=O)c1cnc2cc(OCc3ccc(C(F)(F)F)cc3)ccc2c1.
What is the InChIKey of ethyl 7-[[4-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate?
The InChIKey is HORJLBWVOKANPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3NO3/c1-2-26-19(25)15-9-14-5-8-17(10-18(14)24-11-15)27-12-13-3-6-16(7-4-13)20(21,22)23/h3-11H,2,12H2,1H3.
What are the key properties of ethyl 7-[[4-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate?
ethyl 7-[[4-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate has a molecular weight of 375.35 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[[4-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate is sourced from PubChem (CID 86296267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).