N-cyclopropyl-7-fluoro-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide

C21H18F4N2O2 — CID 46588673

IUPACN-cyclopropyl-7-fluoro-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1CC(C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)c2ccc(F)cc2N1
InChIInChI=1S/C21H18F4N2O2/c22-14-5-8-16-17(10-19(28)26-18(16)9-14)20(29)27(15-6-7-15)11-12-1-3-13(4-2-12)21(23,24)25/h1-5,8-9,15,17H,6-7,10-11H2,(H,26,28)
InChIKeyUVCFZKZWIXFVON-UHFFFAOYSA-N
MW406.38 g/mol
LogP4.46
Rot. Bonds4

About N-cyclopropyl-7-fluoro-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide

N-cyclopropyl-7-fluoro-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 46588673) has the molecular formula C21H18F4N2O2 and a molecular weight of 406.38 g/mol. Its IUPAC name is N-cyclopropyl-7-fluoro-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-7-fluoro-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID46588673
Molecular FormulaC21H18F4N2O2
Molecular Weight406.38 g/mol
Exact Mass406.13
IUPAC NameN-cyclopropyl-7-fluoro-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1CC(C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)c2ccc(F)cc2N1
InChIInChI=1S/C21H18F4N2O2/c22-14-5-8-16-17(10-19(28)26-18(16)9-14)20(29)27(15-6-7-15)11-12-1-3-13(4-2-12)21(23,24)25/h1-5,8-9,15,17H,6-7,10-11H2,(H,26,28)
InChIKeyUVCFZKZWIXFVON-UHFFFAOYSA-N
XLogP4.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.38
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-7-fluoro-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of N-cyclopropyl-7-fluoro-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide (CID 46588673) is N-cyclopropyl-7-fluoro-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-7-fluoro-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for N-cyclopropyl-7-fluoro-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide is O=C1CC(C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)c2ccc(F)cc2N1.
What is the InChIKey of N-cyclopropyl-7-fluoro-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is UVCFZKZWIXFVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F4N2O2/c22-14-5-8-16-17(10-19(28)26-18(16)9-14)20(29)27(15-6-7-15)11-12-1-3-13(4-2-12)21(23,24)25/h1-5,8-9,15,17H,6-7,10-11H2,(H,26,28).
What are the key properties of N-cyclopropyl-7-fluoro-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide?
N-cyclopropyl-7-fluoro-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 406.38 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-7-fluoro-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 46588673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).