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

C17H12ClF3N2O2 — CID 24532097

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESO=C1CCc2cc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)ccc2N1
InChIInChI=1S/C17H12ClF3N2O2/c18-13-4-3-11(8-12(13)17(19,20)21)22-16(25)10-1-5-14-9(7-10)2-6-15(24)23-14/h1,3-5,7-8H,2,6H2,(H,22,25)(H,23,24)
InChIKeySJQXJAKWJSNAKU-UHFFFAOYSA-N
MW368.74 g/mol
LogP4.50
Rot. Bonds2

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

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (PubChem CID 24532097) has the molecular formula C17H12ClF3N2O2 and a molecular weight of 368.74 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
PubChem CID24532097
Molecular FormulaC17H12ClF3N2O2
Molecular Weight368.74 g/mol
Exact Mass368.05
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESO=C1CCc2cc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)ccc2N1
InChIInChI=1S/C17H12ClF3N2O2/c18-13-4-3-11(8-12(13)17(19,20)21)22-16(25)10-1-5-14-9(7-10)2-6-15(24)23-14/h1,3-5,7-8H,2,6H2,(H,22,25)(H,23,24)
InChIKeySJQXJAKWJSNAKU-UHFFFAOYSA-N
XLogP4.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.74
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 17421453
N-[4-chloro-3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100703046
4-fluoro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 18571284
4-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 43696909
N-(2-chloro-4-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 102712636
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-iodobenzamide
CID 1221652
2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]phenyl]propanoic acid
CID 119254165
N-[4-(dimethylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 34547299
N-(3,5-dichloro-4-hydroxyphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108797826
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18103136
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(tetrazolidin-5-yl)benzamide
CID 73390436
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(cyclopropylcarbamoylamino)benzamide
CID 39899500

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (CID 24532097) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is O=C1CCc2cc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)ccc2N1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The InChIKey is SJQXJAKWJSNAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N2O2/c18-13-4-3-11(8-12(13)17(19,20)21)22-16(25)10-1-5-14-9(7-10)2-6-15(24)23-14/h1,3-5,7-8H,2,6H2,(H,22,25)(H,23,24).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide has a molecular weight of 368.74 g/mol, XLogP of 4.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is sourced from PubChem (CID 24532097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).