N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide

C20H19FN2O4 — CID 75467711

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide
SMILESCC1c2ccc(F)cc2CCN1C(=O)C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C20H19FN2O4/c1-12-16-4-2-14(21)10-13(16)6-7-23(12)20(25)19(24)22-15-3-5-17-18(11-15)27-9-8-26-17/h2-5,10-12H,6-9H2,1H3,(H,22,24)
InChIKeyZTAPXPSULBUGII-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.68
Rot. Bonds1

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide (PubChem CID 75467711) has the molecular formula C20H19FN2O4 and a molecular weight of 370.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide
PubChem CID75467711
Molecular FormulaC20H19FN2O4
Molecular Weight370.38 g/mol
Exact Mass370.13
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide
SMILESCC1c2ccc(F)cc2CCN1C(=O)C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C20H19FN2O4/c1-12-16-4-2-14(21)10-13(16)6-7-23(12)20(25)19(24)22-15-3-5-17-18(11-15)27-9-8-26-17/h2-5,10-12H,6-9H2,1H3,(H,22,24)
InChIKeyZTAPXPSULBUGII-UHFFFAOYSA-N
XLogP2.68
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(7S)-N-(4-fluorophenyl)-7-methyl-2,3,4,7,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinoline-8-carboxamide
CID 51857953
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluorophenyl)oxamide
CID 44997744
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopropanamide
CID 82127722
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
CID 44892063
2-(3-fluorophenyl)-1-(6-methyl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinolin-7-yl)ethanone
CID 110727497
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 115929026
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylprop-2-enamide
CID 90480693
N-(1,3-benzodioxol-5-yl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 75461854
N-(3-bromophenyl)-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)oxamide
CID 108987680
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(2,6-dimethylphenyl)oxamide
CID 45000357
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18135411
4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76991677

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide (CID 75467711) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide is CC1c2ccc(F)cc2CCN1C(=O)C(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide?
The InChIKey is ZTAPXPSULBUGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O4/c1-12-16-4-2-14(21)10-13(16)6-7-23(12)20(25)19(24)22-15-3-5-17-18(11-15)27-9-8-26-17/h2-5,10-12H,6-9H2,1H3,(H,22,24).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide has a molecular weight of 370.38 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide is sourced from PubChem (CID 75467711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).