N-(4-acetamidophenyl)-2-(8-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)acetamide

C19H18FN3O3 — CID 126420480

IUPACN-(4-acetamidophenyl)-2-(8-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CN2C(=O)CCc3cccc(F)c32)cc1
InChIInChI=1S/C19H18FN3O3/c1-12(24)21-14-6-8-15(9-7-14)22-17(25)11-23-18(26)10-5-13-3-2-4-16(20)19(13)23/h2-4,6-9H,5,10-11H2,1H3,(H,21,24)(H,22,25)
InChIKeyBFNVBEFQYQBMPB-UHFFFAOYSA-N
MW355.37 g/mol
LogP2.70
Rot. Bonds4

About N-(4-acetamidophenyl)-2-(8-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)acetamide

N-(4-acetamidophenyl)-2-(8-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)acetamide (PubChem CID 126420480) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(8-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(8-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)acetamide
PubChem CID126420480
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC NameN-(4-acetamidophenyl)-2-(8-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CN2C(=O)CCc3cccc(F)c32)cc1
InChIInChI=1S/C19H18FN3O3/c1-12(24)21-14-6-8-15(9-7-14)22-17(25)11-23-18(26)10-5-13-3-2-4-16(20)19(13)23/h2-4,6-9H,5,10-11H2,1H3,(H,21,24)(H,22,25)
InChIKeyBFNVBEFQYQBMPB-UHFFFAOYSA-N
XLogP2.70
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(8-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(8-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)acetamide (CID 126420480) is N-(4-acetamidophenyl)-2-(8-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(8-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(8-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)acetamide is CC(=O)Nc1ccc(NC(=O)CN2C(=O)CCc3cccc(F)c32)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(8-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)acetamide?
The InChIKey is BFNVBEFQYQBMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-12(24)21-14-6-8-15(9-7-14)22-17(25)11-23-18(26)10-5-13-3-2-4-16(20)19(13)23/h2-4,6-9H,5,10-11H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-(4-acetamidophenyl)-2-(8-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)acetamide?
N-(4-acetamidophenyl)-2-(8-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)acetamide has a molecular weight of 355.37 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(8-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)acetamide is sourced from PubChem (CID 126420480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).