6-chloro-2-(trifluoromethyl)quinolin-4-amine;cyclohexane;5-(difluoromethyl)-1-ethylpyrazole-4-carboxamide

C23H27ClF5N5O — CID 169217952

IUPAC6-chloro-2-(trifluoromethyl)quinolin-4-amine;cyclohexane;5-(difluoromethyl)-1-ethylpyrazole-4-carboxamide
SMILESC1CCCCC1.CCn1ncc(C(N)=O)c1C(F)F.Nc1cc(C(F)(F)F)nc2ccc(Cl)cc12
InChIInChI=1S/C10H6ClF3N2.C7H9F2N3O.C6H12/c11-5-1-2-8-6(3-5)7(15)4-9(16-8)10(12,13)14;1-2-12-5(6(8)9)4(3-11-12)7(10)13;1-2-4-6-5-3-1/h1-4H,(H2,15,16);3,6H,2H2,1H3,(H2,10,13);1-6H2
InChIKeyXWFFMAMBJSODFB-UHFFFAOYSA-N
MW519.95 g/mol
LogP6.77
Rot. Bonds3

About 6-chloro-2-(trifluoromethyl)quinolin-4-amine;cyclohexane;5-(difluoromethyl)-1-ethylpyrazole-4-carboxamide

6-chloro-2-(trifluoromethyl)quinolin-4-amine;cyclohexane;5-(difluoromethyl)-1-ethylpyrazole-4-carboxamide (PubChem CID 169217952) has the molecular formula C23H27ClF5N5O and a molecular weight of 519.95 g/mol. Its IUPAC name is 6-chloro-2-(trifluoromethyl)quinolin-4-amine;cyclohexane;5-(difluoromethyl)-1-ethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name6-chloro-2-(trifluoromethyl)quinolin-4-amine;cyclohexane;5-(difluoromethyl)-1-ethylpyrazole-4-carboxamide
PubChem CID169217952
Molecular FormulaC23H27ClF5N5O
Molecular Weight519.95 g/mol
Exact Mass519.18
IUPAC Name6-chloro-2-(trifluoromethyl)quinolin-4-amine;cyclohexane;5-(difluoromethyl)-1-ethylpyrazole-4-carboxamide
SMILESC1CCCCC1.CCn1ncc(C(N)=O)c1C(F)F.Nc1cc(C(F)(F)F)nc2ccc(Cl)cc12
InChIInChI=1S/C10H6ClF3N2.C7H9F2N3O.C6H12/c11-5-1-2-8-6(3-5)7(15)4-9(16-8)10(12,13)14;1-2-12-5(6(8)9)4(3-11-12)7(10)13;1-2-4-6-5-3-1/h1-4H,(H2,15,16);3,6H,2H2,1H3,(H2,10,13);1-6H2
InChIKeyXWFFMAMBJSODFB-UHFFFAOYSA-N
XLogP6.77
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.95
LogP ≤ 56.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-methoxypyridine-4-carboxamide;cyclohexane;2-(trifluoromethyl)quinolin-4-amine
CID 163229806
4-amino-2-(trifluoromethyl)quinolin-6-ol
CID 170250530
6-chloro-N-methyl-2-(trifluoromethyl)quinolin-4-amine;cyclohexane;4-methoxybenzamide
CID 169218499
2-benzyl-1,3-dihydroisoindole-4-carboxamide;cyclohexane;2-(trifluoromethyl)quinolin-4-amine
CID 163228902
2-[6-chloro-2-(trifluoromethyl)quinolin-4-yl]sulfanylethanamine
CID 2737662
4-chloro-1-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]pyrazole-5-carboxamide
CID 163267229
7-chloro-2-(trifluoromethyl)quinoline-4-carboxylic acid
CID 71385990
6-propan-2-yl-2-(trifluoromethyl)quinolin-4-amine
CID 62203089
cyclohexane;4-(4-ethylphenyl)butanamide;2-(trifluoromethyl)quinolin-4-amine
CID 163228896
1-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 163266922
2,6-bis(trifluoromethyl)quinoline-4-carboxamide
CID 97054560
3-amino-6-chloro-4-(trifluoromethyl)quinoline-2-carboxamide
CID 22595775

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(trifluoromethyl)quinolin-4-amine;cyclohexane;5-(difluoromethyl)-1-ethylpyrazole-4-carboxamide?
The IUPAC name of 6-chloro-2-(trifluoromethyl)quinolin-4-amine;cyclohexane;5-(difluoromethyl)-1-ethylpyrazole-4-carboxamide (CID 169217952) is 6-chloro-2-(trifluoromethyl)quinolin-4-amine;cyclohexane;5-(difluoromethyl)-1-ethylpyrazole-4-carboxamide.
What is the SMILES notation for 6-chloro-2-(trifluoromethyl)quinolin-4-amine;cyclohexane;5-(difluoromethyl)-1-ethylpyrazole-4-carboxamide?
The canonical SMILES for 6-chloro-2-(trifluoromethyl)quinolin-4-amine;cyclohexane;5-(difluoromethyl)-1-ethylpyrazole-4-carboxamide is C1CCCCC1.CCn1ncc(C(N)=O)c1C(F)F.Nc1cc(C(F)(F)F)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-2-(trifluoromethyl)quinolin-4-amine;cyclohexane;5-(difluoromethyl)-1-ethylpyrazole-4-carboxamide?
The InChIKey is XWFFMAMBJSODFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF3N2.C7H9F2N3O.C6H12/c11-5-1-2-8-6(3-5)7(15)4-9(16-8)10(12,13)14;1-2-12-5(6(8)9)4(3-11-12)7(10)13;1-2-4-6-5-3-1/h1-4H,(H2,15,16);3,6H,2H2,1H3,(H2,10,13);1-6H2.
What are the key properties of 6-chloro-2-(trifluoromethyl)quinolin-4-amine;cyclohexane;5-(difluoromethyl)-1-ethylpyrazole-4-carboxamide?
6-chloro-2-(trifluoromethyl)quinolin-4-amine;cyclohexane;5-(difluoromethyl)-1-ethylpyrazole-4-carboxamide has a molecular weight of 519.95 g/mol, XLogP of 6.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(trifluoromethyl)quinolin-4-amine;cyclohexane;5-(difluoromethyl)-1-ethylpyrazole-4-carboxamide is sourced from PubChem (CID 169217952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).