4-(diethylamino)-N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]benzamide

C28H27F3N4O — CID 46276168

IUPAC4-(diethylamino)-N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]benzamide
SMILESCCN(CC)c1ccc(C(=O)Nc2ccc3nc(Nc4cccc(C(F)(F)F)c4)cc(C)c3c2)cc1
InChIInChI=1S/C28H27F3N4O/c1-4-35(5-2)23-12-9-19(10-13-23)27(36)33-22-11-14-25-24(17-22)18(3)15-26(34-25)32-21-8-6-7-20(16-21)28(29,30)31/h6-17H,4-5H2,1-3H3,(H,32,34)(H,33,36)
InChIKeyNSXUEZGMVOVIBH-UHFFFAOYSA-N
MW492.55 g/mol
LogP7.40
Rot. Bonds7

About 4-(diethylamino)-N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]benzamide

4-(diethylamino)-N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]benzamide (PubChem CID 46276168) has the molecular formula C28H27F3N4O and a molecular weight of 492.55 g/mol. Its IUPAC name is 4-(diethylamino)-N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]benzamide.

Molecular Properties

Compound Name4-(diethylamino)-N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]benzamide
PubChem CID46276168
Molecular FormulaC28H27F3N4O
Molecular Weight492.55 g/mol
Exact Mass492.21
IUPAC Name4-(diethylamino)-N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]benzamide
SMILESCCN(CC)c1ccc(C(=O)Nc2ccc3nc(Nc4cccc(C(F)(F)F)c4)cc(C)c3c2)cc1
InChIInChI=1S/C28H27F3N4O/c1-4-35(5-2)23-12-9-19(10-13-23)27(36)33-22-11-14-25-24(17-22)18(3)15-26(34-25)32-21-8-6-7-20(16-21)28(29,30)31/h6-17H,4-5H2,1-3H3,(H,32,34)(H,33,36)
InChIKeyNSXUEZGMVOVIBH-UHFFFAOYSA-N
XLogP7.40
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.55
LogP ≤ 57.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]-4-nitrobenzamide
CID 46276166
2-methoxy-N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]benzamide
CID 46276156
N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 20910556
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-(trifluoromethyl)benzamide
CID 122296604
N-[4-(diethylamino)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 109009742
3-[(4-acetamidobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46513546
N-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 130471222
ethyl 3-[[4-(diethylamino)benzoyl]amino]benzoate
CID 5194656
N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-(dimethylamino)benzamide
CID 46364150
4-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2666437
3-ethoxy-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 28639289
4-(phenylcarbamothioylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 28639160

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]benzamide?
The IUPAC name of 4-(diethylamino)-N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]benzamide (CID 46276168) is 4-(diethylamino)-N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]benzamide.
What is the SMILES notation for 4-(diethylamino)-N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]benzamide?
The canonical SMILES for 4-(diethylamino)-N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]benzamide is CCN(CC)c1ccc(C(=O)Nc2ccc3nc(Nc4cccc(C(F)(F)F)c4)cc(C)c3c2)cc1.
What is the InChIKey of 4-(diethylamino)-N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]benzamide?
The InChIKey is NSXUEZGMVOVIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F3N4O/c1-4-35(5-2)23-12-9-19(10-13-23)27(36)33-22-11-14-25-24(17-22)18(3)15-26(34-25)32-21-8-6-7-20(16-21)28(29,30)31/h6-17H,4-5H2,1-3H3,(H,32,34)(H,33,36).
What are the key properties of 4-(diethylamino)-N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]benzamide?
4-(diethylamino)-N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]benzamide has a molecular weight of 492.55 g/mol, XLogP of 7.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]benzamide is sourced from PubChem (CID 46276168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).