2-amino-4-[3-(3-methylsulfonylphenyl)phenyl]-8-(trifluoromethyl)quinoline-3-carboxamide

C24H18F3N3O3S — CID 68879223

IUPAC2-amino-4-[3-(3-methylsulfonylphenyl)phenyl]-8-(trifluoromethyl)quinoline-3-carboxamide
SMILESCS(=O)(=O)c1cccc(-c2cccc(-c3c(C(N)=O)c(N)nc4c(C(F)(F)F)cccc34)c2)c1
InChIInChI=1S/C24H18F3N3O3S/c1-34(32,33)16-8-3-6-14(12-16)13-5-2-7-15(11-13)19-17-9-4-10-18(24(25,26)27)21(17)30-22(28)20(19)23(29)31/h2-12H,1H3,(H2,28,30)(H2,29,31)
InChIKeyUKSCULCSVXAASS-UHFFFAOYSA-N
MW485.49 g/mol
LogP4.67
Rot. Bonds4

About 2-amino-4-[3-(3-methylsulfonylphenyl)phenyl]-8-(trifluoromethyl)quinoline-3-carboxamide

2-amino-4-[3-(3-methylsulfonylphenyl)phenyl]-8-(trifluoromethyl)quinoline-3-carboxamide (PubChem CID 68879223) has the molecular formula C24H18F3N3O3S and a molecular weight of 485.49 g/mol. Its IUPAC name is 2-amino-4-[3-(3-methylsulfonylphenyl)phenyl]-8-(trifluoromethyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name2-amino-4-[3-(3-methylsulfonylphenyl)phenyl]-8-(trifluoromethyl)quinoline-3-carboxamide
PubChem CID68879223
Molecular FormulaC24H18F3N3O3S
Molecular Weight485.49 g/mol
Exact Mass485.10
IUPAC Name2-amino-4-[3-(3-methylsulfonylphenyl)phenyl]-8-(trifluoromethyl)quinoline-3-carboxamide
SMILESCS(=O)(=O)c1cccc(-c2cccc(-c3c(C(N)=O)c(N)nc4c(C(F)(F)F)cccc34)c2)c1
InChIInChI=1S/C24H18F3N3O3S/c1-34(32,33)16-8-3-6-14(12-16)13-5-2-7-15(11-13)19-17-9-4-10-18(24(25,26)27)21(17)30-22(28)20(19)23(29)31/h2-12H,1H3,(H2,28,30)(H2,29,31)
InChIKeyUKSCULCSVXAASS-UHFFFAOYSA-N
XLogP4.67
TPSA116.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.49
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-[3-(3-methylsulfonylphenyl)phenyl]-8-(trifluoromethyl)quinazoline
CID 25262704
4-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-8-(trifluoromethyl)quinoline-3-carboxamide
CID 68879526
3-[3-[3-methyl-8-(trifluoromethyl)quinolin-4-yl]phenyl]benzenesulfonamide
CID 68879538
4-[4-(3-methylsulfonylphenyl)-2-pyridinyl]-8-(trifluoromethyl)quinoline
CID 68877332
3-methyl-4-[5-(3-methylsulfonylphenyl)thiophen-3-yl]-8-(trifluoromethyl)quinoline
CID 68879022
2-(4-ethylphenyl)-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide
CID 141120001
3-methyl-4-[3-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoline
CID 25100150
3,5-difluoro-4-(3-methylsulfonylphenyl)benzamide
CID 172648780
2-[3-[3-[3-cyano-8-(trifluoromethyl)quinolin-4-yl]phenyl]phenyl]sulfonylacetic acid
CID 68877493
[3-[3-cyano-8-(trifluoromethyl)quinolin-4-yl]phenyl] 3-methylsulfonylbenzoate
CID 56597859
ethyl 1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole-4-carboxylate;1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 159776110
[4-(3-methylsulfonylphenyl)-2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 166611510

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[3-(3-methylsulfonylphenyl)phenyl]-8-(trifluoromethyl)quinoline-3-carboxamide?
The IUPAC name of 2-amino-4-[3-(3-methylsulfonylphenyl)phenyl]-8-(trifluoromethyl)quinoline-3-carboxamide (CID 68879223) is 2-amino-4-[3-(3-methylsulfonylphenyl)phenyl]-8-(trifluoromethyl)quinoline-3-carboxamide.
What is the SMILES notation for 2-amino-4-[3-(3-methylsulfonylphenyl)phenyl]-8-(trifluoromethyl)quinoline-3-carboxamide?
The canonical SMILES for 2-amino-4-[3-(3-methylsulfonylphenyl)phenyl]-8-(trifluoromethyl)quinoline-3-carboxamide is CS(=O)(=O)c1cccc(-c2cccc(-c3c(C(N)=O)c(N)nc4c(C(F)(F)F)cccc34)c2)c1.
What is the InChIKey of 2-amino-4-[3-(3-methylsulfonylphenyl)phenyl]-8-(trifluoromethyl)quinoline-3-carboxamide?
The InChIKey is UKSCULCSVXAASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3O3S/c1-34(32,33)16-8-3-6-14(12-16)13-5-2-7-15(11-13)19-17-9-4-10-18(24(25,26)27)21(17)30-22(28)20(19)23(29)31/h2-12H,1H3,(H2,28,30)(H2,29,31).
What are the key properties of 2-amino-4-[3-(3-methylsulfonylphenyl)phenyl]-8-(trifluoromethyl)quinoline-3-carboxamide?
2-amino-4-[3-(3-methylsulfonylphenyl)phenyl]-8-(trifluoromethyl)quinoline-3-carboxamide has a molecular weight of 485.49 g/mol, XLogP of 4.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[3-(3-methylsulfonylphenyl)phenyl]-8-(trifluoromethyl)quinoline-3-carboxamide is sourced from PubChem (CID 68879223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).