N-[3,5-bis(trifluoromethyl)phenyl]-4-oxo-1H-quinoline-3-carboxamide

C18H10F6N2O2 — CID 30131665

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C18H10F6N2O2/c19-17(20,21)9-5-10(18(22,23)24)7-11(6-9)26-16(28)13-8-25-14-4-2-1-3-12(14)15(13)27/h1-8H,(H,25,27)(H,26,28)
InChIKeyPWSXBYBVFSEFDD-UHFFFAOYSA-N
MW400.28 g/mol
LogP4.82
Rot. Bonds2

About N-[3,5-bis(trifluoromethyl)phenyl]-4-oxo-1H-quinoline-3-carboxamide

N-[3,5-bis(trifluoromethyl)phenyl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 30131665) has the molecular formula C18H10F6N2O2 and a molecular weight of 400.28 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID30131665
Molecular FormulaC18H10F6N2O2
Molecular Weight400.28 g/mol
Exact Mass400.06
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C18H10F6N2O2/c19-17(20,21)9-5-10(18(22,23)24)7-11(6-9)26-16(28)13-8-25-14-4-2-1-3-12(14)15(13)27/h1-8H,(H,25,27)(H,26,28)
InChIKeyPWSXBYBVFSEFDD-UHFFFAOYSA-N
XLogP4.82
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.28
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-4-oxo-1H-quinoline-3-carboxamide (CID 30131665) is N-[3,5-bis(trifluoromethyl)phenyl]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-4-oxo-1H-quinoline-3-carboxamide is O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c[nH]c2ccccc2c1=O.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is PWSXBYBVFSEFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F6N2O2/c19-17(20,21)9-5-10(18(22,23)24)7-11(6-9)26-16(28)13-8-25-14-4-2-1-3-12(14)15(13)27/h1-8H,(H,25,27)(H,26,28).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-4-oxo-1H-quinoline-3-carboxamide?
N-[3,5-bis(trifluoromethyl)phenyl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 400.28 g/mol, XLogP of 4.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 30131665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).