3-(5-acetyl-2-pyridinyl)-5-fluoro-N-quinolin-5-ylbenzamide;formic acid

C24H18FN3O4 — CID 171339257

IUPAC3-(5-acetyl-2-pyridinyl)-5-fluoro-N-quinolin-5-ylbenzamide;formic acid
SMILESCC(=O)c1ccc(-c2cc(F)cc(C(=O)Nc3cccc4ncccc34)c2)nc1.O=CO
InChIInChI=1S/C23H16FN3O2.CH2O2/c1-14(28)15-7-8-20(26-13-15)16-10-17(12-18(24)11-16)23(29)27-22-6-2-5-21-19(22)4-3-9-25-21;2-1-3/h2-13H,1H3,(H,27,29);1H,(H,2,3)
InChIKeyJLWBECWBVUMCJC-UHFFFAOYSA-N
MW431.42 g/mol
LogP4.59
Rot. Bonds4

About 3-(5-acetyl-2-pyridinyl)-5-fluoro-N-quinolin-5-ylbenzamide;formic acid

3-(5-acetyl-2-pyridinyl)-5-fluoro-N-quinolin-5-ylbenzamide;formic acid (PubChem CID 171339257) has the molecular formula C24H18FN3O4 and a molecular weight of 431.42 g/mol. Its IUPAC name is 3-(5-acetyl-2-pyridinyl)-5-fluoro-N-quinolin-5-ylbenzamide;formic acid.

Molecular Properties

Compound Name3-(5-acetyl-2-pyridinyl)-5-fluoro-N-quinolin-5-ylbenzamide;formic acid
PubChem CID171339257
Molecular FormulaC24H18FN3O4
Molecular Weight431.42 g/mol
Exact Mass431.13
IUPAC Name3-(5-acetyl-2-pyridinyl)-5-fluoro-N-quinolin-5-ylbenzamide;formic acid
SMILESCC(=O)c1ccc(-c2cc(F)cc(C(=O)Nc3cccc4ncccc34)c2)nc1.O=CO
InChIInChI=1S/C23H16FN3O2.CH2O2/c1-14(28)15-7-8-20(26-13-15)16-10-17(12-18(24)11-16)23(29)27-22-6-2-5-21-19(22)4-3-9-25-21;2-1-3/h2-13H,1H3,(H,27,29);1H,(H,2,3)
InChIKeyJLWBECWBVUMCJC-UHFFFAOYSA-N
XLogP4.59
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.42
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-(5-acetyl-2-pyridinyl)-N-naphthalen-1-ylbenzamide
CID 170421596
4-fluoro-2-methyl-N-quinolin-5-ylbenzamide
CID 115745134
2,6-dichloro-N-quinolin-5-ylpyridine-4-carboxamide
CID 2782162
4-(methylamino)-N-quinolin-5-ylbenzamide
CID 62187273
2,3-dimethyl-N-quinolin-5-ylquinoxaline-6-carboxamide
CID 51205597
4-bromo-3,5-dimethoxy-N-quinolin-5-ylbenzamide
CID 26706123
N-(5-chloroquinolin-7-yl)-6-(4-fluorophenyl)pyridine-3-carboxamide
CID 58664315
1-[6-(3-chloro-5-fluorophenyl)-3-pyridinyl]ethanone
CID 175646991
4-methylsulfinyl-N-quinolin-5-ylbenzamide
CID 51182481
6-amino-5-chloro-N-quinolin-5-ylpyridine-3-carboxamide
CID 62151637
4-butoxy-N-quinolin-5-ylbenzamide
CID 3982301
3-chloro-N-quinolin-5-ylbenzamide
CID 5127132

Frequently Asked Questions

What is the IUPAC name of 3-(5-acetyl-2-pyridinyl)-5-fluoro-N-quinolin-5-ylbenzamide;formic acid?
The IUPAC name of 3-(5-acetyl-2-pyridinyl)-5-fluoro-N-quinolin-5-ylbenzamide;formic acid (CID 171339257) is 3-(5-acetyl-2-pyridinyl)-5-fluoro-N-quinolin-5-ylbenzamide;formic acid.
What is the SMILES notation for 3-(5-acetyl-2-pyridinyl)-5-fluoro-N-quinolin-5-ylbenzamide;formic acid?
The canonical SMILES for 3-(5-acetyl-2-pyridinyl)-5-fluoro-N-quinolin-5-ylbenzamide;formic acid is CC(=O)c1ccc(-c2cc(F)cc(C(=O)Nc3cccc4ncccc34)c2)nc1.O=CO.
What is the InChIKey of 3-(5-acetyl-2-pyridinyl)-5-fluoro-N-quinolin-5-ylbenzamide;formic acid?
The InChIKey is JLWBECWBVUMCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN3O2.CH2O2/c1-14(28)15-7-8-20(26-13-15)16-10-17(12-18(24)11-16)23(29)27-22-6-2-5-21-19(22)4-3-9-25-21;2-1-3/h2-13H,1H3,(H,27,29);1H,(H,2,3).
What are the key properties of 3-(5-acetyl-2-pyridinyl)-5-fluoro-N-quinolin-5-ylbenzamide;formic acid?
3-(5-acetyl-2-pyridinyl)-5-fluoro-N-quinolin-5-ylbenzamide;formic acid has a molecular weight of 431.42 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-acetyl-2-pyridinyl)-5-fluoro-N-quinolin-5-ylbenzamide;formic acid is sourced from PubChem (CID 171339257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).