2-[8-(4-fluorobenzoyl)-9-oxo-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-yl]-N-(3-methoxyphenyl)acetamide

C27H21FN2O6 — CID 2136321

IUPAC2-[8-(4-fluorobenzoyl)-9-oxo-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-yl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)Cn2cc(C(=O)c3ccc(F)cc3)c(=O)c3cc4c(cc32)OCCO4)c1
InChIInChI=1S/C27H21FN2O6/c1-34-19-4-2-3-18(11-19)29-25(31)15-30-14-21(26(32)16-5-7-17(28)8-6-16)27(33)20-12-23-24(13-22(20)30)36-10-9-35-23/h2-8,11-14H,9-10,15H2,1H3,(H,29,31)
InChIKeyGNFDFVIECJTKFR-UHFFFAOYSA-N
MW488.47 g/mol
LogP3.79
Rot. Bonds6

About 2-[8-(4-fluorobenzoyl)-9-oxo-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-yl]-N-(3-methoxyphenyl)acetamide

2-[8-(4-fluorobenzoyl)-9-oxo-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-yl]-N-(3-methoxyphenyl)acetamide (PubChem CID 2136321) has the molecular formula C27H21FN2O6 and a molecular weight of 488.47 g/mol. Its IUPAC name is 2-[8-(4-fluorobenzoyl)-9-oxo-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-yl]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[8-(4-fluorobenzoyl)-9-oxo-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-yl]-N-(3-methoxyphenyl)acetamide
PubChem CID2136321
Molecular FormulaC27H21FN2O6
Molecular Weight488.47 g/mol
Exact Mass488.14
IUPAC Name2-[8-(4-fluorobenzoyl)-9-oxo-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-yl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)Cn2cc(C(=O)c3ccc(F)cc3)c(=O)c3cc4c(cc32)OCCO4)c1
InChIInChI=1S/C27H21FN2O6/c1-34-19-4-2-3-18(11-19)29-25(31)15-30-14-21(26(32)16-5-7-17(28)8-6-16)27(33)20-12-23-24(13-22(20)30)36-10-9-35-23/h2-8,11-14H,9-10,15H2,1H3,(H,29,31)
InChIKeyGNFDFVIECJTKFR-UHFFFAOYSA-N
XLogP3.79
TPSA95.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.47
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[8-(4-fluorobenzoyl)-9-oxo-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-yl]-N-(3-methoxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[8-(4-methoxybenzoyl)-9-oxo-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-yl]-N-(3-methoxyphenyl)acetamide
CID 2136005
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-fluoro-3-(4-methoxybenzoyl)-4-oxoquinolin-1-yl]acetamide
CID 2137960
2-[6-ethoxy-3-(4-fluorobenzoyl)-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 18560373
N-(1,3-benzodioxol-5-yl)-2-[3-(4-fluorobenzoyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]acetamide
CID 2136501
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(3,4-dimethylbenzoyl)-6-methoxy-4-oxoquinolin-1-yl]acetamide
CID 2136173
N-(3-fluorophenyl)-2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 53000787
2-[3-(3,4-dimethylbenzoyl)-6-methoxy-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 2136196
6-[(3-fluorophenyl)methyl]-8-(4-methoxybenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one
CID 2137172
2-[6-ethoxy-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 16825395
N-(1,3-benzodioxol-5-yl)-2-[3-(4-fluorobenzoyl)-4-oxoquinolin-1-yl]acetamide
CID 20868909
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-fluoro-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 53000689

Frequently Asked Questions

What is the IUPAC name of 2-[8-(4-fluorobenzoyl)-9-oxo-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-yl]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[8-(4-fluorobenzoyl)-9-oxo-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-yl]-N-(3-methoxyphenyl)acetamide (CID 2136321) is 2-[8-(4-fluorobenzoyl)-9-oxo-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-yl]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[8-(4-fluorobenzoyl)-9-oxo-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-yl]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[8-(4-fluorobenzoyl)-9-oxo-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-yl]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)Cn2cc(C(=O)c3ccc(F)cc3)c(=O)c3cc4c(cc32)OCCO4)c1.
What is the InChIKey of 2-[8-(4-fluorobenzoyl)-9-oxo-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-yl]-N-(3-methoxyphenyl)acetamide?
The InChIKey is GNFDFVIECJTKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FN2O6/c1-34-19-4-2-3-18(11-19)29-25(31)15-30-14-21(26(32)16-5-7-17(28)8-6-16)27(33)20-12-23-24(13-22(20)30)36-10-9-35-23/h2-8,11-14H,9-10,15H2,1H3,(H,29,31).
What are the key properties of 2-[8-(4-fluorobenzoyl)-9-oxo-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-yl]-N-(3-methoxyphenyl)acetamide?
2-[8-(4-fluorobenzoyl)-9-oxo-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-yl]-N-(3-methoxyphenyl)acetamide has a molecular weight of 488.47 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(4-fluorobenzoyl)-9-oxo-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-yl]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 2136321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).