N-(1,3-benzodioxol-5-yl)-2-[3-(4-fluorobenzoyl)-4-oxoquinolin-1-yl]acetamide

C25H17FN2O5 — CID 20868909

IUPACN-(1,3-benzodioxol-5-yl)-2-[3-(4-fluorobenzoyl)-4-oxoquinolin-1-yl]acetamide
SMILESO=C(Cn1cc(C(=O)c2ccc(F)cc2)c(=O)c2ccccc21)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C25H17FN2O5/c26-16-7-5-15(6-8-16)24(30)19-12-28(20-4-2-1-3-18(20)25(19)31)13-23(29)27-17-9-10-21-22(11-17)33-14-32-21/h1-12H,13-14H2,(H,27,29)
InChIKeyNHWOEZJQHSBTPG-UHFFFAOYSA-N
MW444.42 g/mol
LogP3.74
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-2-[3-(4-fluorobenzoyl)-4-oxoquinolin-1-yl]acetamide

N-(1,3-benzodioxol-5-yl)-2-[3-(4-fluorobenzoyl)-4-oxoquinolin-1-yl]acetamide (PubChem CID 20868909) has the molecular formula C25H17FN2O5 and a molecular weight of 444.42 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[3-(4-fluorobenzoyl)-4-oxoquinolin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[3-(4-fluorobenzoyl)-4-oxoquinolin-1-yl]acetamide
PubChem CID20868909
Molecular FormulaC25H17FN2O5
Molecular Weight444.42 g/mol
Exact Mass444.11
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[3-(4-fluorobenzoyl)-4-oxoquinolin-1-yl]acetamide
SMILESO=C(Cn1cc(C(=O)c2ccc(F)cc2)c(=O)c2ccccc21)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C25H17FN2O5/c26-16-7-5-15(6-8-16)24(30)19-12-28(20-4-2-1-3-18(20)25(19)31)13-23(29)27-17-9-10-21-22(11-17)33-14-32-21/h1-12H,13-14H2,(H,27,29)
InChIKeyNHWOEZJQHSBTPG-UHFFFAOYSA-N
XLogP3.74
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.42
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-[3-(4-fluorobenzoyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]acetamide
CID 2136501
N-(1,3-benzodioxol-5-yl)-2-(3-benzoyl-6-methyl-4-oxoquinolin-1-yl)acetamide
CID 18560084
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-fluoro-3-(4-methoxybenzoyl)-4-oxoquinolin-1-yl]acetamide
CID 2137960
N-(1,3-benzodioxol-5-yl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30560784
N-(1,3-benzodioxol-5-yl)-2-[6-ethyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]acetamide
CID 18560350
2-[8-(4-fluorobenzoyl)-9-oxo-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-yl]-N-(3-methoxyphenyl)acetamide
CID 2136321
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 53000648
2-[6-ethyl-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide
CID 18560579
N-(1,3-benzodioxol-5-yl)-2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]acetamide
CID 53180480
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(3,4-dimethylbenzoyl)-6-methoxy-4-oxoquinolin-1-yl]acetamide
CID 2136173
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(4-ethoxybenzoyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]acetamide
CID 2138160
2-[6-chloro-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide
CID 18560402

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[3-(4-fluorobenzoyl)-4-oxoquinolin-1-yl]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[3-(4-fluorobenzoyl)-4-oxoquinolin-1-yl]acetamide (CID 20868909) is N-(1,3-benzodioxol-5-yl)-2-[3-(4-fluorobenzoyl)-4-oxoquinolin-1-yl]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[3-(4-fluorobenzoyl)-4-oxoquinolin-1-yl]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[3-(4-fluorobenzoyl)-4-oxoquinolin-1-yl]acetamide is O=C(Cn1cc(C(=O)c2ccc(F)cc2)c(=O)c2ccccc21)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[3-(4-fluorobenzoyl)-4-oxoquinolin-1-yl]acetamide?
The InChIKey is NHWOEZJQHSBTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17FN2O5/c26-16-7-5-15(6-8-16)24(30)19-12-28(20-4-2-1-3-18(20)25(19)31)13-23(29)27-17-9-10-21-22(11-17)33-14-32-21/h1-12H,13-14H2,(H,27,29).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[3-(4-fluorobenzoyl)-4-oxoquinolin-1-yl]acetamide?
N-(1,3-benzodioxol-5-yl)-2-[3-(4-fluorobenzoyl)-4-oxoquinolin-1-yl]acetamide has a molecular weight of 444.42 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[3-(4-fluorobenzoyl)-4-oxoquinolin-1-yl]acetamide is sourced from PubChem (CID 20868909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).