2-oxo-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-6-carboxamide

C20H19F3N2O3 — CID 30357826

IUPAC2-oxo-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESO=C1CCc2cc(C(=O)NCc3ccc(COCC(F)(F)F)cc3)ccc2N1
InChIInChI=1S/C20H19F3N2O3/c21-20(22,23)12-28-11-14-3-1-13(2-4-14)10-24-19(27)16-5-7-17-15(9-16)6-8-18(26)25-17/h1-5,7,9H,6,8,10-12H2,(H,24,27)(H,25,26)
InChIKeyWKKRAILRLBGLSO-UHFFFAOYSA-N
MW392.38 g/mol
LogP3.58
Rot. Bonds6

About 2-oxo-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-6-carboxamide

2-oxo-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-6-carboxamide (PubChem CID 30357826) has the molecular formula C20H19F3N2O3 and a molecular weight of 392.38 g/mol. Its IUPAC name is 2-oxo-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-6-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-6-carboxamide
PubChem CID30357826
Molecular FormulaC20H19F3N2O3
Molecular Weight392.38 g/mol
Exact Mass392.13
IUPAC Name2-oxo-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESO=C1CCc2cc(C(=O)NCc3ccc(COCC(F)(F)F)cc3)ccc2N1
InChIInChI=1S/C20H19F3N2O3/c21-20(22,23)12-28-11-14-3-1-13(2-4-14)10-24-19(27)16-5-7-17-15(9-16)6-8-18(26)25-17/h1-5,7,9H,6,8,10-12H2,(H,24,27)(H,25,26)
InChIKeyWKKRAILRLBGLSO-UHFFFAOYSA-N
XLogP3.58
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-6-carboxamide?
The IUPAC name of 2-oxo-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-6-carboxamide (CID 30357826) is 2-oxo-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-6-carboxamide.
What is the SMILES notation for 2-oxo-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-6-carboxamide?
The canonical SMILES for 2-oxo-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-6-carboxamide is O=C1CCc2cc(C(=O)NCc3ccc(COCC(F)(F)F)cc3)ccc2N1.
What is the InChIKey of 2-oxo-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-6-carboxamide?
The InChIKey is WKKRAILRLBGLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O3/c21-20(22,23)12-28-11-14-3-1-13(2-4-14)10-24-19(27)16-5-7-17-15(9-16)6-8-18(26)25-17/h1-5,7,9H,6,8,10-12H2,(H,24,27)(H,25,26).
What are the key properties of 2-oxo-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-6-carboxamide?
2-oxo-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-6-carboxamide has a molecular weight of 392.38 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-6-carboxamide is sourced from PubChem (CID 30357826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).