N-[(2R,4S)-1-(5-fluoropyridine-3-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide

C24H22FN3O2 — CID 69427313

IUPACN-[(2R,4S)-1-(5-fluoropyridine-3-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)c2cncc(F)c2)c2ccccc21
InChIInChI=1S/C24H22FN3O2/c1-16-12-23(28(17(2)29)20-8-4-3-5-9-20)21-10-6-7-11-22(21)27(16)24(30)18-13-19(25)15-26-14-18/h3-11,13-16,23H,12H2,1-2H3/t16-,23+/m1/s1
InChIKeyDWXUMZSJLROJPQ-MWTRTKDXSA-N
MW403.46 g/mol
LogP4.75
Rot. Bonds3

About N-[(2R,4S)-1-(5-fluoropyridine-3-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide

N-[(2R,4S)-1-(5-fluoropyridine-3-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide (PubChem CID 69427313) has the molecular formula C24H22FN3O2 and a molecular weight of 403.46 g/mol. Its IUPAC name is N-[(2R,4S)-1-(5-fluoropyridine-3-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[(2R,4S)-1-(5-fluoropyridine-3-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
PubChem CID69427313
Molecular FormulaC24H22FN3O2
Molecular Weight403.46 g/mol
Exact Mass403.17
IUPAC NameN-[(2R,4S)-1-(5-fluoropyridine-3-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)c2cncc(F)c2)c2ccccc21
InChIInChI=1S/C24H22FN3O2/c1-16-12-23(28(17(2)29)20-8-4-3-5-9-20)21-10-6-7-11-22(21)27(16)24(30)18-13-19(25)15-26-14-18/h3-11,13-16,23H,12H2,1-2H3/t16-,23+/m1/s1
InChIKeyDWXUMZSJLROJPQ-MWTRTKDXSA-N
XLogP4.75
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,4S)-1-(5-fluoropyridine-3-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The IUPAC name of N-[(2R,4S)-1-(5-fluoropyridine-3-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide (CID 69427313) is N-[(2R,4S)-1-(5-fluoropyridine-3-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide.
What is the SMILES notation for N-[(2R,4S)-1-(5-fluoropyridine-3-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The canonical SMILES for N-[(2R,4S)-1-(5-fluoropyridine-3-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide is CC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)c2cncc(F)c2)c2ccccc21.
What is the InChIKey of N-[(2R,4S)-1-(5-fluoropyridine-3-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The InChIKey is DWXUMZSJLROJPQ-MWTRTKDXSA-N. The full InChI is InChI=1S/C24H22FN3O2/c1-16-12-23(28(17(2)29)20-8-4-3-5-9-20)21-10-6-7-11-22(21)27(16)24(30)18-13-19(25)15-26-14-18/h3-11,13-16,23H,12H2,1-2H3/t16-,23+/m1/s1.
What are the key properties of N-[(2R,4S)-1-(5-fluoropyridine-3-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
N-[(2R,4S)-1-(5-fluoropyridine-3-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide has a molecular weight of 403.46 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4S)-1-(5-fluoropyridine-3-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide is sourced from PubChem (CID 69427313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).