2-[2-methoxy-4-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]-N-propan-2-ylacetamide

C23H25F3N2O5 — CID 55777968

IUPAC2-[2-methoxy-4-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]-N-propan-2-ylacetamide
SMILESCOc1cc(C(=O)N2CCCc3cc(OC(F)(F)F)ccc32)ccc1OCC(=O)NC(C)C
InChIInChI=1S/C23H25F3N2O5/c1-14(2)27-21(29)13-32-19-9-6-16(12-20(19)31-3)22(30)28-10-4-5-15-11-17(7-8-18(15)28)33-23(24,25)26/h6-9,11-12,14H,4-5,10,13H2,1-3H3,(H,27,29)
InChIKeyVTCUPCQVPUBEGE-UHFFFAOYSA-N
MW466.46 g/mol
LogP4.09
Rot. Bonds7

About 2-[2-methoxy-4-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]-N-propan-2-ylacetamide

2-[2-methoxy-4-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]-N-propan-2-ylacetamide (PubChem CID 55777968) has the molecular formula C23H25F3N2O5 and a molecular weight of 466.46 g/mol. Its IUPAC name is 2-[2-methoxy-4-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-methoxy-4-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]-N-propan-2-ylacetamide
PubChem CID55777968
Molecular FormulaC23H25F3N2O5
Molecular Weight466.46 g/mol
Exact Mass466.17
IUPAC Name2-[2-methoxy-4-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]-N-propan-2-ylacetamide
SMILESCOc1cc(C(=O)N2CCCc3cc(OC(F)(F)F)ccc32)ccc1OCC(=O)NC(C)C
InChIInChI=1S/C23H25F3N2O5/c1-14(2)27-21(29)13-32-19-9-6-16(12-20(19)31-3)22(30)28-10-4-5-15-11-17(7-8-18(15)28)33-23(24,25)26/h6-9,11-12,14H,4-5,10,13H2,1-3H3,(H,27,29)
InChIKeyVTCUPCQVPUBEGE-UHFFFAOYSA-N
XLogP4.09
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.46
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-methoxy-4-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]-N-propan-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,4-dimethoxyphenyl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31840202
2-[2-bromo-4-(trifluoromethoxy)phenoxy]-N-propan-2-ylacetamide
CID 165412358
N-methyl-N-propan-2-yl-4-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline-1-carbonyl]benzenesulfonamide
CID 55671604
(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone
CID 55916686
4-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline-1-carbonyl]pyridine-2-carbonitrile
CID 99837253
2-methoxy-5-(6-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-N-methylbenzenesulfonamide
CID 34363466
(4-ethoxy-3-methoxyphenyl)-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 55433921
2-[4-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-2-methoxyphenoxy]-N-propan-2-ylacetamide
CID 55851382
2-[2-methoxy-4-[3-(methylamino)piperidine-1-carbonyl]phenoxy]-N-propan-2-ylacetamide
CID 119492705
2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 37202356
[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 51129035
2-[4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-2-methoxyphenoxy]-N-propan-2-ylacetamide
CID 120657442

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-methoxy-4-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]-N-propan-2-ylacetamide (CID 55777968) is 2-[2-methoxy-4-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-methoxy-4-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-methoxy-4-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]-N-propan-2-ylacetamide is COc1cc(C(=O)N2CCCc3cc(OC(F)(F)F)ccc32)ccc1OCC(=O)NC(C)C.
What is the InChIKey of 2-[2-methoxy-4-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]-N-propan-2-ylacetamide?
The InChIKey is VTCUPCQVPUBEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N2O5/c1-14(2)27-21(29)13-32-19-9-6-16(12-20(19)31-3)22(30)28-10-4-5-15-11-17(7-8-18(15)28)33-23(24,25)26/h6-9,11-12,14H,4-5,10,13H2,1-3H3,(H,27,29).
What are the key properties of 2-[2-methoxy-4-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]-N-propan-2-ylacetamide?
2-[2-methoxy-4-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]-N-propan-2-ylacetamide has a molecular weight of 466.46 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]-N-propan-2-ylacetamide is sourced from PubChem (CID 55777968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).