N-[(2S,4R)-2-methyl-1-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide

C26H24F3N3O3 — CID 69430991

IUPACN-[(2S,4R)-2-methyl-1-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)[C@@H]1C[C@H](C)N(C(=O)c2ccc(OCC(F)(F)F)nc2)c2ccccc21
InChIInChI=1S/C26H24F3N3O3/c1-17-14-23(32(18(2)33)20-8-4-3-5-9-20)21-10-6-7-11-22(21)31(17)25(34)19-12-13-24(30-15-19)35-16-26(27,28)29/h3-13,15,17,23H,14,16H2,1-2H3/t17-,23+/m0/s1
InChIKeyANBYVUAWDJAZLB-GAJHUEQPSA-N
MW483.49 g/mol
LogP5.56
Rot. Bonds5

About N-[(2S,4R)-2-methyl-1-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide

N-[(2S,4R)-2-methyl-1-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide (PubChem CID 69430991) has the molecular formula C26H24F3N3O3 and a molecular weight of 483.49 g/mol. Its IUPAC name is N-[(2S,4R)-2-methyl-1-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[(2S,4R)-2-methyl-1-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
PubChem CID69430991
Molecular FormulaC26H24F3N3O3
Molecular Weight483.49 g/mol
Exact Mass483.18
IUPAC NameN-[(2S,4R)-2-methyl-1-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)[C@@H]1C[C@H](C)N(C(=O)c2ccc(OCC(F)(F)F)nc2)c2ccccc21
InChIInChI=1S/C26H24F3N3O3/c1-17-14-23(32(18(2)33)20-8-4-3-5-9-20)21-10-6-7-11-22(21)31(17)25(34)19-12-13-24(30-15-19)35-16-26(27,28)29/h3-13,15,17,23H,14,16H2,1-2H3/t17-,23+/m0/s1
InChIKeyANBYVUAWDJAZLB-GAJHUEQPSA-N
XLogP5.56
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.49
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,4R)-2-methyl-1-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The IUPAC name of N-[(2S,4R)-2-methyl-1-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide (CID 69430991) is N-[(2S,4R)-2-methyl-1-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide.
What is the SMILES notation for N-[(2S,4R)-2-methyl-1-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The canonical SMILES for N-[(2S,4R)-2-methyl-1-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide is CC(=O)N(c1ccccc1)[C@@H]1C[C@H](C)N(C(=O)c2ccc(OCC(F)(F)F)nc2)c2ccccc21.
What is the InChIKey of N-[(2S,4R)-2-methyl-1-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The InChIKey is ANBYVUAWDJAZLB-GAJHUEQPSA-N. The full InChI is InChI=1S/C26H24F3N3O3/c1-17-14-23(32(18(2)33)20-8-4-3-5-9-20)21-10-6-7-11-22(21)31(17)25(34)19-12-13-24(30-15-19)35-16-26(27,28)29/h3-13,15,17,23H,14,16H2,1-2H3/t17-,23+/m0/s1.
What are the key properties of N-[(2S,4R)-2-methyl-1-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
N-[(2S,4R)-2-methyl-1-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide has a molecular weight of 483.49 g/mol, XLogP of 5.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4R)-2-methyl-1-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide is sourced from PubChem (CID 69430991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).