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

C24H22FN3O2 — CID 10024108

IUPACN-[1-(5-fluoropyridine-3-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)C1CC(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
InChIKeyDWXUMZSJLROJPQ-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.75
Rot. Bonds3

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

N-[1-(5-fluoropyridine-3-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide (PubChem CID 10024108) has the molecular formula C24H22FN3O2 and a molecular weight of 403.46 g/mol. Its IUPAC name is N-[1-(5-fluoropyridine-3-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[1-(5-fluoropyridine-3-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
PubChem CID10024108
Molecular FormulaC24H22FN3O2
Molecular Weight403.46 g/mol
Exact Mass403.17
IUPAC NameN-[1-(5-fluoropyridine-3-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)C1CC(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
InChIKeyDWXUMZSJLROJPQ-UHFFFAOYSA-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-[1-(5-fluoropyridine-3-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The IUPAC name of N-[1-(5-fluoropyridine-3-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide (CID 10024108) is N-[1-(5-fluoropyridine-3-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide.
What is the SMILES notation for N-[1-(5-fluoropyridine-3-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The canonical SMILES for N-[1-(5-fluoropyridine-3-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide is CC(=O)N(c1ccccc1)C1CC(C)N(C(=O)c2cncc(F)c2)c2ccccc21.
What is the InChIKey of N-[1-(5-fluoropyridine-3-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The InChIKey is DWXUMZSJLROJPQ-UHFFFAOYSA-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.
What are the key properties of N-[1-(5-fluoropyridine-3-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
N-[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-[1-(5-fluoropyridine-3-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide is sourced from PubChem (CID 10024108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).