N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide

C24H22F3N3O — CID 44525563

IUPACN-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCC1(C)CCNc2cc(NC(=O)c3ccc(-c4ncccc4C(F)(F)F)cc3)ccc21
InChIInChI=1S/C24H22F3N3O/c1-23(2)11-13-28-20-14-17(9-10-18(20)23)30-22(31)16-7-5-15(6-8-16)21-19(24(25,26)27)4-3-12-29-21/h3-10,12,14,28H,11,13H2,1-2H3,(H,30,31)
InChIKeyUDVKTUWUHNPRFO-UHFFFAOYSA-N
MW425.45 g/mol
LogP6.11
Rot. Bonds3

About N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide

N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 44525563) has the molecular formula C24H22F3N3O and a molecular weight of 425.45 g/mol. Its IUPAC name is N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
PubChem CID44525563
Molecular FormulaC24H22F3N3O
Molecular Weight425.45 g/mol
Exact Mass425.17
IUPAC NameN-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCC1(C)CCNc2cc(NC(=O)c3ccc(-c4ncccc4C(F)(F)F)cc3)ccc21
InChIInChI=1S/C24H22F3N3O/c1-23(2)11-13-28-20-14-17(9-10-18(20)23)30-22(31)16-7-5-15(6-8-16)21-19(24(25,26)27)4-3-12-29-21/h3-10,12,14,28H,11,13H2,1-2H3,(H,30,31)
InChIKeyUDVKTUWUHNPRFO-UHFFFAOYSA-N
XLogP6.11
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.45
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
The IUPAC name of N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide (CID 44525563) is N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
The canonical SMILES for N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide is CC1(C)CCNc2cc(NC(=O)c3ccc(-c4ncccc4C(F)(F)F)cc3)ccc21.
What is the InChIKey of N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
The InChIKey is UDVKTUWUHNPRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O/c1-23(2)11-13-28-20-14-17(9-10-18(20)23)30-22(31)16-7-5-15(6-8-16)21-19(24(25,26)27)4-3-12-29-21/h3-10,12,14,28H,11,13H2,1-2H3,(H,30,31).
What are the key properties of N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 425.45 g/mol, XLogP of 6.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 44525563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).