[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

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Related Compounds

[2-oxo-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1,5-naphthyridin-3-yl] carbamate
CID 175464851
1-hydroxy-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-3aH-triazolo[1,5-a]quinolin-3-one
CID 57199423
2,2,2-trifluoroethyl 2-methyl-2,3-dihydroindole-1-carboxylate
CID 43217740
4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-3,4-dihydroquinolin-1-yl]benzoic acid
CID 170679933
[1-(4-chlorophenyl)-3,4-dihydro-2H-quinolin-3-yl] carbamate
CID 175464845
3-[[1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]amino]propanoic acid
CID 163236033
5-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide
CID 14306227
1-phenyl-3-propyl-3,4-dihydroquinolin-2-one
CID 69356082
1-(2-aminoethyl)-2-oxo-3,4-dihydroquinoline-3-carboxamide;2,2,2-trifluoroacetic acid
CID 68898176
N-[[(3S)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]methyl]prop-2-enamide
CID 170679886
2,3-dihydro-1H-inden-2-yl-[4-(trifluoromethyl)phenyl]methanone
CID 65406837
3-ethyl-1-phenyl-3,4-dihydroquinolin-2-one
CID 69356546

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).