[2-oxo-1-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinolin-3-yl] carbamate

C17H13F3N2O3 — CID 175464902

IUPAC[2-oxo-1-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinolin-3-yl] carbamate
SMILESNC(=O)OC1Cc2ccccc2N(c2ccc(C(F)(F)F)cc2)C1=O
InChIInChI=1S/C17H13F3N2O3/c18-17(19,20)11-5-7-12(8-6-11)22-13-4-2-1-3-10(13)9-14(15(22)23)25-16(21)24/h1-8,14H,9H2,(H2,21,24)
InChIKeyITFFGBLQCKJDAB-UHFFFAOYSA-N
MW350.30 g/mol
LogP3.39
Rot. Bonds2

About [2-oxo-1-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinolin-3-yl] carbamate

[2-oxo-1-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinolin-3-yl] carbamate (PubChem CID 175464902) has the molecular formula C17H13F3N2O3 and a molecular weight of 350.30 g/mol. Its IUPAC name is [2-oxo-1-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinolin-3-yl] carbamate.

Molecular Properties

Compound Name[2-oxo-1-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinolin-3-yl] carbamate
PubChem CID175464902
Molecular FormulaC17H13F3N2O3
Molecular Weight350.30 g/mol
Exact Mass350.09
IUPAC Name[2-oxo-1-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinolin-3-yl] carbamate
SMILESNC(=O)OC1Cc2ccccc2N(c2ccc(C(F)(F)F)cc2)C1=O
InChIInChI=1S/C17H13F3N2O3/c18-17(19,20)11-5-7-12(8-6-11)22-13-4-2-1-3-10(13)9-14(15(22)23)25-16(21)24/h1-8,14H,9H2,(H2,21,24)
InChIKeyITFFGBLQCKJDAB-UHFFFAOYSA-N
XLogP3.39
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-oxo-1-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinolin-3-yl] carbamate 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 [2-oxo-1-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinolin-3-yl] carbamate?
The IUPAC name of [2-oxo-1-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinolin-3-yl] carbamate (CID 175464902) is [2-oxo-1-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinolin-3-yl] carbamate.
What is the SMILES notation for [2-oxo-1-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinolin-3-yl] carbamate?
The canonical SMILES for [2-oxo-1-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinolin-3-yl] carbamate is NC(=O)OC1Cc2ccccc2N(c2ccc(C(F)(F)F)cc2)C1=O.
What is the InChIKey of [2-oxo-1-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinolin-3-yl] carbamate?
The InChIKey is ITFFGBLQCKJDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O3/c18-17(19,20)11-5-7-12(8-6-11)22-13-4-2-1-3-10(13)9-14(15(22)23)25-16(21)24/h1-8,14H,9H2,(H2,21,24).
What are the key properties of [2-oxo-1-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinolin-3-yl] carbamate?
[2-oxo-1-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinolin-3-yl] carbamate has a molecular weight of 350.30 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-1-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinolin-3-yl] carbamate is sourced from PubChem (CID 175464902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).