4,6-dimethyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide

C20H22F3N3O — CID 166351384

IUPAC4,6-dimethyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2NCC(F)(F)F)c2c(c1)C(C)CCN2
InChIInChI=1S/C20H22F3N3O/c1-12-9-14-13(2)7-8-24-18(14)15(10-12)19(27)26-17-6-4-3-5-16(17)25-11-20(21,22)23/h3-6,9-10,13,24-25H,7-8,11H2,1-2H3,(H,26,27)
InChIKeyZMADJKCDAFJXQB-UHFFFAOYSA-N
MW377.41 g/mol
LogP5.14
Rot. Bonds4

About 4,6-dimethyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide

4,6-dimethyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide (PubChem CID 166351384) has the molecular formula C20H22F3N3O and a molecular weight of 377.41 g/mol. Its IUPAC name is 4,6-dimethyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide.

Molecular Properties

Compound Name4,6-dimethyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
PubChem CID166351384
Molecular FormulaC20H22F3N3O
Molecular Weight377.41 g/mol
Exact Mass377.17
IUPAC Name4,6-dimethyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2NCC(F)(F)F)c2c(c1)C(C)CCN2
InChIInChI=1S/C20H22F3N3O/c1-12-9-14-13(2)7-8-24-18(14)15(10-12)19(27)26-17-6-4-3-5-16(17)25-11-20(21,22)23/h3-6,9-10,13,24-25H,7-8,11H2,1-2H3,(H,26,27)
InChIKeyZMADJKCDAFJXQB-UHFFFAOYSA-N
XLogP5.14
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.41
LogP ≤ 55.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dimethyl-N-[3-methyl-2-(2-phenylethylcarbamoyl)phenyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 167954493
N-[2-(2-fluorophenyl)ethyl]-4,6-dimethyl-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 166351440
2,5-dimethyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]furan-3-carboxamide
CID 47076260
2-methylsulfanyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide
CID 99841149
5-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]pyrazine-2-carboxamide
CID 47829593
3-amino-2-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]butanamide;dihydrochloride
CID 120503282
4-acetyl-1-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]pyrrole-2-carboxamide
CID 99773603
4-[[2-(2,2,2-trifluoroethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 167914964
2-amino-N-[2-(2,2,2-trifluoroethylamino)phenyl]acetamide
CID 119861596
4-(3,5-dimethylpyrazol-1-yl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide
CID 47829643
4-methyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid
CID 56766062
2-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 43037378

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The IUPAC name of 4,6-dimethyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide (CID 166351384) is 4,6-dimethyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide.
What is the SMILES notation for 4,6-dimethyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The canonical SMILES for 4,6-dimethyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide is Cc1cc(C(=O)Nc2ccccc2NCC(F)(F)F)c2c(c1)C(C)CCN2.
What is the InChIKey of 4,6-dimethyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The InChIKey is ZMADJKCDAFJXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O/c1-12-9-14-13(2)7-8-24-18(14)15(10-12)19(27)26-17-6-4-3-5-16(17)25-11-20(21,22)23/h3-6,9-10,13,24-25H,7-8,11H2,1-2H3,(H,26,27).
What are the key properties of 4,6-dimethyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide?
4,6-dimethyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide has a molecular weight of 377.41 g/mol, XLogP of 5.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide is sourced from PubChem (CID 166351384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).