N-(4-chlorophenyl)-2-[3-(4-ethoxybenzoyl)-6-fluoro-4-oxoquinolin-1-yl]acetamide

C26H20ClFN2O4 — CID 2135589

IUPACN-(4-chlorophenyl)-2-[3-(4-ethoxybenzoyl)-6-fluoro-4-oxoquinolin-1-yl]acetamide
SMILESCCOc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(Cl)cc3)c3ccc(F)cc3c2=O)cc1
InChIInChI=1S/C26H20ClFN2O4/c1-2-34-20-10-3-16(4-11-20)25(32)22-14-30(23-12-7-18(28)13-21(23)26(22)33)15-24(31)29-19-8-5-17(27)6-9-19/h3-14H,2,15H2,1H3,(H,29,31)
InChIKeyNGDPKCXECKMXJB-UHFFFAOYSA-N
MW478.91 g/mol
LogP5.06
Rot. Bonds7

About N-(4-chlorophenyl)-2-[3-(4-ethoxybenzoyl)-6-fluoro-4-oxoquinolin-1-yl]acetamide

N-(4-chlorophenyl)-2-[3-(4-ethoxybenzoyl)-6-fluoro-4-oxoquinolin-1-yl]acetamide (PubChem CID 2135589) has the molecular formula C26H20ClFN2O4 and a molecular weight of 478.91 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[3-(4-ethoxybenzoyl)-6-fluoro-4-oxoquinolin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[3-(4-ethoxybenzoyl)-6-fluoro-4-oxoquinolin-1-yl]acetamide
PubChem CID2135589
Molecular FormulaC26H20ClFN2O4
Molecular Weight478.91 g/mol
Exact Mass478.11
IUPAC NameN-(4-chlorophenyl)-2-[3-(4-ethoxybenzoyl)-6-fluoro-4-oxoquinolin-1-yl]acetamide
SMILESCCOc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(Cl)cc3)c3ccc(F)cc3c2=O)cc1
InChIInChI=1S/C26H20ClFN2O4/c1-2-34-20-10-3-16(4-11-20)25(32)22-14-30(23-12-7-18(28)13-21(23)26(22)33)15-24(31)29-19-8-5-17(27)6-9-19/h3-14H,2,15H2,1H3,(H,29,31)
InChIKeyNGDPKCXECKMXJB-UHFFFAOYSA-N
XLogP5.06
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.91
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-2-[6-ethoxy-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]acetamide
CID 18560276
N-(4-ethoxyphenyl)-2-[3-(4-fluorobenzoyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]acetamide
CID 20868855
2-(3-benzoyl-6-ethoxy-4-oxoquinolin-1-yl)-N-(4-ethoxyphenyl)acetamide
CID 16825294
2-[6-chloro-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide
CID 18560402
N-(3,4-difluorophenyl)-2-[3-(4-ethylbenzoyl)-6-fluoro-4-oxoquinolin-1-yl]acetamide
CID 2136558
2-[6-ethoxy-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide
CID 16825329
2-[6-chloro-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-ethylphenyl)acetamide
CID 18560233
2-[6-ethoxy-3-(4-fluorobenzoyl)-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 18560373
2-[6-ethyl-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide
CID 18560579
2-[6-fluoro-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 53000689
N-(4-ethoxyphenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 53000661
2-[6-chloro-3-(4-fluorobenzoyl)-4-oxoquinolin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 18560394

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[3-(4-ethoxybenzoyl)-6-fluoro-4-oxoquinolin-1-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[3-(4-ethoxybenzoyl)-6-fluoro-4-oxoquinolin-1-yl]acetamide (CID 2135589) is N-(4-chlorophenyl)-2-[3-(4-ethoxybenzoyl)-6-fluoro-4-oxoquinolin-1-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[3-(4-ethoxybenzoyl)-6-fluoro-4-oxoquinolin-1-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[3-(4-ethoxybenzoyl)-6-fluoro-4-oxoquinolin-1-yl]acetamide is CCOc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(Cl)cc3)c3ccc(F)cc3c2=O)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[3-(4-ethoxybenzoyl)-6-fluoro-4-oxoquinolin-1-yl]acetamide?
The InChIKey is NGDPKCXECKMXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClFN2O4/c1-2-34-20-10-3-16(4-11-20)25(32)22-14-30(23-12-7-18(28)13-21(23)26(22)33)15-24(31)29-19-8-5-17(27)6-9-19/h3-14H,2,15H2,1H3,(H,29,31).
What are the key properties of N-(4-chlorophenyl)-2-[3-(4-ethoxybenzoyl)-6-fluoro-4-oxoquinolin-1-yl]acetamide?
N-(4-chlorophenyl)-2-[3-(4-ethoxybenzoyl)-6-fluoro-4-oxoquinolin-1-yl]acetamide has a molecular weight of 478.91 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[3-(4-ethoxybenzoyl)-6-fluoro-4-oxoquinolin-1-yl]acetamide is sourced from PubChem (CID 2135589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).