N-(4-fluorophenyl)-2-[6-methoxy-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]acetamide

C26H21FN2O4 — CID 2136208

IUPACN-(4-fluorophenyl)-2-[6-methoxy-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]acetamide
SMILESCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(C)cc1)cn2CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C26H21FN2O4/c1-16-3-5-17(6-4-16)25(31)22-14-29(15-24(30)28-19-9-7-18(27)8-10-19)23-12-11-20(33-2)13-21(23)26(22)32/h3-14H,15H2,1-2H3,(H,28,30)
InChIKeyUAWQYOGISAPKFS-UHFFFAOYSA-N
MW444.46 g/mol
LogP4.33
Rot. Bonds6

About N-(4-fluorophenyl)-2-[6-methoxy-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]acetamide

N-(4-fluorophenyl)-2-[6-methoxy-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]acetamide (PubChem CID 2136208) has the molecular formula C26H21FN2O4 and a molecular weight of 444.46 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[6-methoxy-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[6-methoxy-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]acetamide
PubChem CID2136208
Molecular FormulaC26H21FN2O4
Molecular Weight444.46 g/mol
Exact Mass444.15
IUPAC NameN-(4-fluorophenyl)-2-[6-methoxy-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]acetamide
SMILESCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(C)cc1)cn2CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C26H21FN2O4/c1-16-3-5-17(6-4-16)25(31)22-14-29(15-24(30)28-19-9-7-18(27)8-10-19)23-12-11-20(33-2)13-21(23)26(22)32/h3-14H,15H2,1-2H3,(H,28,30)
InChIKeyUAWQYOGISAPKFS-UHFFFAOYSA-N
XLogP4.33
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.46
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[6-methoxy-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[6-methoxy-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]acetamide (CID 2136208) is N-(4-fluorophenyl)-2-[6-methoxy-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[6-methoxy-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[6-methoxy-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]acetamide is COc1ccc2c(c1)c(=O)c(C(=O)c1ccc(C)cc1)cn2CC(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[6-methoxy-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]acetamide?
The InChIKey is UAWQYOGISAPKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN2O4/c1-16-3-5-17(6-4-16)25(31)22-14-29(15-24(30)28-19-9-7-18(27)8-10-19)23-12-11-20(33-2)13-21(23)26(22)32/h3-14H,15H2,1-2H3,(H,28,30).
What are the key properties of N-(4-fluorophenyl)-2-[6-methoxy-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]acetamide?
N-(4-fluorophenyl)-2-[6-methoxy-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]acetamide has a molecular weight of 444.46 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[6-methoxy-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]acetamide is sourced from PubChem (CID 2136208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).