ethyl 2-ethyl-4-[methoxy(methyl)carbamoyl]-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate

C18H23F3N2O4 — CID 11417842

IUPACethyl 2-ethyl-4-[methoxy(methyl)carbamoyl]-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCCOC(=O)N1c2ccc(C(F)(F)F)cc2C(C(=O)N(C)OC)CC1CC
InChIInChI=1S/C18H23F3N2O4/c1-5-12-10-14(16(24)22(3)26-4)13-9-11(18(19,20)21)7-8-15(13)23(12)17(25)27-6-2/h7-9,12,14H,5-6,10H2,1-4H3
InChIKeyNBPMOZQZIMXOHL-UHFFFAOYSA-N
MW388.39 g/mol
LogP3.95
Rot. Bonds4

About ethyl 2-ethyl-4-[methoxy(methyl)carbamoyl]-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate

ethyl 2-ethyl-4-[methoxy(methyl)carbamoyl]-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate (PubChem CID 11417842) has the molecular formula C18H23F3N2O4 and a molecular weight of 388.39 g/mol. Its IUPAC name is ethyl 2-ethyl-4-[methoxy(methyl)carbamoyl]-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethyl-4-[methoxy(methyl)carbamoyl]-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate
PubChem CID11417842
Molecular FormulaC18H23F3N2O4
Molecular Weight388.39 g/mol
Exact Mass388.16
IUPAC Nameethyl 2-ethyl-4-[methoxy(methyl)carbamoyl]-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCCOC(=O)N1c2ccc(C(F)(F)F)cc2C(C(=O)N(C)OC)CC1CC
InChIInChI=1S/C18H23F3N2O4/c1-5-12-10-14(16(24)22(3)26-4)13-9-11(18(19,20)21)7-8-15(13)23(12)17(25)27-6-2/h7-9,12,14H,5-6,10H2,1-4H3
InChIKeyNBPMOZQZIMXOHL-UHFFFAOYSA-N
XLogP3.95
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl 2-ethyl-4-[methoxy(methyl)carbamoyl]-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-4-[methoxy(methyl)carbamoyl]-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate?
The IUPAC name of ethyl 2-ethyl-4-[methoxy(methyl)carbamoyl]-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate (CID 11417842) is ethyl 2-ethyl-4-[methoxy(methyl)carbamoyl]-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate.
What is the SMILES notation for ethyl 2-ethyl-4-[methoxy(methyl)carbamoyl]-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate?
The canonical SMILES for ethyl 2-ethyl-4-[methoxy(methyl)carbamoyl]-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate is CCOC(=O)N1c2ccc(C(F)(F)F)cc2C(C(=O)N(C)OC)CC1CC.
What is the InChIKey of ethyl 2-ethyl-4-[methoxy(methyl)carbamoyl]-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate?
The InChIKey is NBPMOZQZIMXOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O4/c1-5-12-10-14(16(24)22(3)26-4)13-9-11(18(19,20)21)7-8-15(13)23(12)17(25)27-6-2/h7-9,12,14H,5-6,10H2,1-4H3.
What are the key properties of ethyl 2-ethyl-4-[methoxy(methyl)carbamoyl]-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate?
ethyl 2-ethyl-4-[methoxy(methyl)carbamoyl]-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate has a molecular weight of 388.39 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-4-[methoxy(methyl)carbamoyl]-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate is sourced from PubChem (CID 11417842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).