6-bromo-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-quinoline-4-carboxamide

C17H10BrF3N2O3 — CID 53491067

IUPAC6-bromo-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-quinoline-4-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1cc(=O)[nH]c2ccc(Br)cc12
InChIInChI=1S/C17H10BrF3N2O3/c18-9-1-6-14-12(7-9)13(8-15(24)23-14)16(25)22-10-2-4-11(5-3-10)26-17(19,20)21/h1-8H,(H,22,25)(H,23,24)
InChIKeyNWKFMZUQBYIWGP-UHFFFAOYSA-N
MW427.18 g/mol
LogP4.44
Rot. Bonds3

About 6-bromo-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-quinoline-4-carboxamide

6-bromo-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-quinoline-4-carboxamide (PubChem CID 53491067) has the molecular formula C17H10BrF3N2O3 and a molecular weight of 427.18 g/mol. Its IUPAC name is 6-bromo-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name6-bromo-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-quinoline-4-carboxamide
PubChem CID53491067
Molecular FormulaC17H10BrF3N2O3
Molecular Weight427.18 g/mol
Exact Mass425.98
IUPAC Name6-bromo-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-quinoline-4-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1cc(=O)[nH]c2ccc(Br)cc12
InChIInChI=1S/C17H10BrF3N2O3/c18-9-1-6-14-12(7-9)13(8-15(24)23-14)16(25)22-10-2-4-11(5-3-10)26-17(19,20)21/h1-8H,(H,22,25)(H,23,24)
InChIKeyNWKFMZUQBYIWGP-UHFFFAOYSA-N
XLogP4.44
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.18
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-quinoline-4-carboxamide?
The IUPAC name of 6-bromo-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-quinoline-4-carboxamide (CID 53491067) is 6-bromo-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-quinoline-4-carboxamide.
What is the SMILES notation for 6-bromo-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-quinoline-4-carboxamide?
The canonical SMILES for 6-bromo-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-quinoline-4-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc(=O)[nH]c2ccc(Br)cc12.
What is the InChIKey of 6-bromo-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-quinoline-4-carboxamide?
The InChIKey is NWKFMZUQBYIWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrF3N2O3/c18-9-1-6-14-12(7-9)13(8-15(24)23-14)16(25)22-10-2-4-11(5-3-10)26-17(19,20)21/h1-8H,(H,22,25)(H,23,24).
What are the key properties of 6-bromo-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-quinoline-4-carboxamide?
6-bromo-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-quinoline-4-carboxamide has a molecular weight of 427.18 g/mol, XLogP of 4.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-quinoline-4-carboxamide is sourced from PubChem (CID 53491067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).