N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide

C21H24N2O3 — CID 24648771

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
SMILESCC1CCc2ccccc2N1CC(=O)NCC1COc2ccccc2O1
InChIInChI=1S/C21H24N2O3/c1-15-10-11-16-6-2-3-7-18(16)23(15)13-21(24)22-12-17-14-25-19-8-4-5-9-20(19)26-17/h2-9,15,17H,10-14H2,1H3,(H,22,24)
InChIKeyKTYQFQLFUHOQDB-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.78
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide (PubChem CID 24648771) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
PubChem CID24648771
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
SMILESCC1CCc2ccccc2N1CC(=O)NCC1COc2ccccc2O1
InChIInChI=1S/C21H24N2O3/c1-15-10-11-16-6-2-3-7-18(16)23(15)13-21(24)22-12-17-14-25-19-8-4-5-9-20(19)26-17/h2-9,15,17H,10-14H2,1H3,(H,22,24)
InChIKeyKTYQFQLFUHOQDB-UHFFFAOYSA-N
XLogP2.78
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxoethyl]-2,3-dihydroindole-2-carboxamide
CID 95049805
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 18166181
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[(2S)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide
CID 34919205
2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 8593706
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propanamide
CID 7334544
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 18103292
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(methylamino)acetamide
CID 60686684
2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 26516865
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7531419
methyl 2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetate
CID 43089229
3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propanamide
CID 1251106
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(propylamino)acetamide
CID 60687691

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide (CID 24648771) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide is CC1CCc2ccccc2N1CC(=O)NCC1COc2ccccc2O1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide?
The InChIKey is KTYQFQLFUHOQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15-10-11-16-6-2-3-7-18(16)23(15)13-21(24)22-12-17-14-25-19-8-4-5-9-20(19)26-17/h2-9,15,17H,10-14H2,1H3,(H,22,24).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide has a molecular weight of 352.43 g/mol, XLogP of 2.78, 4 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-3-ylmethyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide is sourced from PubChem (CID 24648771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).