N-carbamoyl-6-(trifluoromethyl)quinoline-2-carboxamide

C12H8F3N3O2 — CID 58792246

IUPACN-carbamoyl-6-(trifluoromethyl)quinoline-2-carboxamide
SMILESNC(=O)NC(=O)c1ccc2cc(C(F)(F)F)ccc2n1
InChIInChI=1S/C12H8F3N3O2/c13-12(14,15)7-2-4-8-6(5-7)1-3-9(17-8)10(19)18-11(16)20/h1-5H,(H3,16,18,19,20)
InChIKeyPYPOMLJEOXZCEA-UHFFFAOYSA-N
MW283.21 g/mol
LogP2.06
Rot. Bonds1

About N-carbamoyl-6-(trifluoromethyl)quinoline-2-carboxamide

N-carbamoyl-6-(trifluoromethyl)quinoline-2-carboxamide (PubChem CID 58792246) has the molecular formula C12H8F3N3O2 and a molecular weight of 283.21 g/mol. Its IUPAC name is N-carbamoyl-6-(trifluoromethyl)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-carbamoyl-6-(trifluoromethyl)quinoline-2-carboxamide
PubChem CID58792246
Molecular FormulaC12H8F3N3O2
Molecular Weight283.21 g/mol
Exact Mass283.06
IUPAC NameN-carbamoyl-6-(trifluoromethyl)quinoline-2-carboxamide
SMILESNC(=O)NC(=O)c1ccc2cc(C(F)(F)F)ccc2n1
InChIInChI=1S/C12H8F3N3O2/c13-12(14,15)7-2-4-8-6(5-7)1-3-9(17-8)10(19)18-11(16)20/h1-5H,(H3,16,18,19,20)
InChIKeyPYPOMLJEOXZCEA-UHFFFAOYSA-N
XLogP2.06
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 6-(trifluoromethyl)quinoline-2-carboxylate
CID 82245392
2-[6-(trifluoromethyl)quinolin-2-yl]acetamide
CID 110490458
N-[3-[[2-[(2,2-difluorocyclopropyl)methoxy]acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethyl)quinoline-2-carboxamide
CID 139517598
N-[3-[[2-[(2,2-difluorocyclopropyl)methoxy]acetyl]amino]-1-bicyclo[1.1.0]butanyl]-6-(trifluoromethyl)quinoline-2-carboxamide
CID 139517594
N-[(1R)-1-[4-(methanesulfonamido)-3-methylphenyl]ethyl]-6-(trifluoromethyl)quinoline-2-carboxamide
CID 25010239
N-[6-(5-propoxy-1,3,4-oxadiazol-2-yl)spiro[3.3]heptan-2-yl]-6-(trifluoromethyl)quinoline-2-carboxamide
CID 165008435
6-(trifluoromethyl)quinazolin-2-amine
CID 10584686
methyl 3-[6-(trifluoromethyl)quinolin-2-yl]propanoate
CID 82249527
N-[3-[[2-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxyacetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethyl)quinoline-2-carboxamide
CID 170085736
N-[(3R,6S)-6-[[1-(trifluoromethoxymethyl)cyclobutyl]carbamoyl]oxan-3-yl]-6-(trifluoromethyl)quinoline-2-carboxamide
CID 175747883
N'-[2-nitro-4-(trifluoromethyl)phenyl]quinoline-2-carbohydrazide
CID 29409127
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]quinoline-2-carboxamide
CID 26177558

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-6-(trifluoromethyl)quinoline-2-carboxamide?
The IUPAC name of N-carbamoyl-6-(trifluoromethyl)quinoline-2-carboxamide (CID 58792246) is N-carbamoyl-6-(trifluoromethyl)quinoline-2-carboxamide.
What is the SMILES notation for N-carbamoyl-6-(trifluoromethyl)quinoline-2-carboxamide?
The canonical SMILES for N-carbamoyl-6-(trifluoromethyl)quinoline-2-carboxamide is NC(=O)NC(=O)c1ccc2cc(C(F)(F)F)ccc2n1.
What is the InChIKey of N-carbamoyl-6-(trifluoromethyl)quinoline-2-carboxamide?
The InChIKey is PYPOMLJEOXZCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N3O2/c13-12(14,15)7-2-4-8-6(5-7)1-3-9(17-8)10(19)18-11(16)20/h1-5H,(H3,16,18,19,20).
What are the key properties of N-carbamoyl-6-(trifluoromethyl)quinoline-2-carboxamide?
N-carbamoyl-6-(trifluoromethyl)quinoline-2-carboxamide has a molecular weight of 283.21 g/mol, XLogP of 2.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-6-(trifluoromethyl)quinoline-2-carboxamide is sourced from PubChem (CID 58792246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).