N-(1,3-benzodioxol-5-ylmethyl)-4-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-4-oxobutanamide

C22H24N2O4 — CID 7353824

IUPACN-(1,3-benzodioxol-5-ylmethyl)-4-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-4-oxobutanamide
SMILESC[C@@H]1CCc2ccccc2N1C(=O)CCC(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C22H24N2O4/c1-15-6-8-17-4-2-3-5-18(17)24(15)22(26)11-10-21(25)23-13-16-7-9-19-20(12-16)28-14-27-19/h2-5,7,9,12,15H,6,8,10-11,13-14H2,1H3,(H,23,25)/t15-/m1/s1
InChIKeyFPKQTQZLERFNHL-OAHLLOKOSA-N
MW380.44 g/mol
LogP3.18
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-4-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-4-oxobutanamide

N-(1,3-benzodioxol-5-ylmethyl)-4-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-4-oxobutanamide (PubChem CID 7353824) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-4-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-4-oxobutanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-4-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-4-oxobutanamide
PubChem CID7353824
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-4-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-4-oxobutanamide
SMILESC[C@@H]1CCc2ccccc2N1C(=O)CCC(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C22H24N2O4/c1-15-6-8-17-4-2-3-5-18(17)24(15)22(26)11-10-21(25)23-13-16-7-9-19-20(12-16)28-14-27-19/h2-5,7,9,12,15H,6,8,10-11,13-14H2,1H3,(H,23,25)/t15-/m1/s1
InChIKeyFPKQTQZLERFNHL-OAHLLOKOSA-N
XLogP3.18
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 17426273
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CID 3244735
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 109136731
N-(1,3-benzodioxol-5-ylmethyl)-N'-[(1R,2S,3R)-2,3-dimethylcyclohexyl]butanediamide
CID 7316037
N-(1,3-benzodioxol-5-ylmethyl)-4-indol-1-yl-4-oxobutanamide
CID 84556439
3-amino-N-(1,3-benzodioxol-5-ylmethyl)propanamide;hydrochloride
CID 51051992
N-(1,3-benzodioxol-5-ylmethyl)-3-pyrrol-1-ylpropanamide
CID 3238528
N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9260785
N-(1,3-benzodioxol-5-ylmethyl)-3-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 46274896
N-(1,3-benzodioxol-5-ylmethyl)-4-hydroxybutanamide
CID 2810954
N-(1,3-benzodioxol-5-ylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 9036242
[2-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109258313

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-4-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-4-oxobutanamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-4-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-4-oxobutanamide (CID 7353824) is N-(1,3-benzodioxol-5-ylmethyl)-4-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-4-oxobutanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-4-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-4-oxobutanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-4-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-4-oxobutanamide is C[C@@H]1CCc2ccccc2N1C(=O)CCC(=O)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-4-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-4-oxobutanamide?
The InChIKey is FPKQTQZLERFNHL-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-15-6-8-17-4-2-3-5-18(17)24(15)22(26)11-10-21(25)23-13-16-7-9-19-20(12-16)28-14-27-19/h2-5,7,9,12,15H,6,8,10-11,13-14H2,1H3,(H,23,25)/t15-/m1/s1.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-4-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-4-oxobutanamide?
N-(1,3-benzodioxol-5-ylmethyl)-4-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-4-oxobutanamide has a molecular weight of 380.44 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-4-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-4-oxobutanamide is sourced from PubChem (CID 7353824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).