2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide

C23H24N2O4 — CID 110609224

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide
SMILESCc1ccc2cc(CCNC(=O)Cc3ccc4c(c3)OCCO4)c(=O)[nH]c2c1C
InChIInChI=1S/C23H24N2O4/c1-14-3-5-17-13-18(23(27)25-22(17)15(14)2)7-8-24-21(26)12-16-4-6-19-20(11-16)29-10-9-28-19/h3-6,11,13H,7-10,12H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyASURRADKYLJLEC-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.82
Rot. Bonds5

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide (PubChem CID 110609224) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide
PubChem CID110609224
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide
SMILESCc1ccc2cc(CCNC(=O)Cc3ccc4c(c3)OCCO4)c(=O)[nH]c2c1C
InChIInChI=1S/C23H24N2O4/c1-14-3-5-17-13-18(23(27)25-22(17)15(14)2)7-8-24-21(26)12-16-4-6-19-20(11-16)29-10-9-28-19/h3-6,11,13H,7-10,12H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyASURRADKYLJLEC-UHFFFAOYSA-N
XLogP2.82
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide
CID 110326206
N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 110415481
N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-methylbenzamide
CID 4097912
2-(4-chlorophenyl)-N-[2-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)ethyl]acetamide
CID 110326177
N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]thiophene-2-carboxamide
CID 12006147
1-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methylthiourea
CID 7136969
N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenoxypropanamide
CID 110326207
1-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylurea
CID 110326210
N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methoxybenzamide
CID 16814032
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]acetamide
CID 110633665
2-(4-fluorophenyl)-N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
CID 110789847
N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110325136

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide (CID 110609224) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide is Cc1ccc2cc(CCNC(=O)Cc3ccc4c(c3)OCCO4)c(=O)[nH]c2c1C.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide?
The InChIKey is ASURRADKYLJLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-14-3-5-17-13-18(23(27)25-22(17)15(14)2)7-8-24-21(26)12-16-4-6-19-20(11-16)29-10-9-28-19/h3-6,11,13H,7-10,12H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide has a molecular weight of 392.46 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide is sourced from PubChem (CID 110609224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).