N-(1,3-benzodioxol-5-ylmethyl)-2-quinolin-8-ylacetamide

C19H16N2O3 — CID 51306954

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-quinolin-8-ylacetamide
SMILESO=C(Cc1cccc2cccnc12)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C19H16N2O3/c22-18(10-15-4-1-3-14-5-2-8-20-19(14)15)21-11-13-6-7-16-17(9-13)24-12-23-16/h1-9H,10-12H2,(H,21,22)
InChIKeyDSGLVKPFVBYOBI-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.82
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-2-quinolin-8-ylacetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-quinolin-8-ylacetamide (PubChem CID 51306954) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-quinolin-8-ylacetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-quinolin-8-ylacetamide
PubChem CID51306954
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-quinolin-8-ylacetamide
SMILESO=C(Cc1cccc2cccnc12)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C19H16N2O3/c22-18(10-15-4-1-3-14-5-2-8-20-19(14)15)21-11-13-6-7-16-17(9-13)24-12-23-16/h1-9H,10-12H2,(H,21,22)
InChIKeyDSGLVKPFVBYOBI-UHFFFAOYSA-N
XLogP2.82
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(quinolin-8-ylmethyl)urea
CID 86864145
N-(1,3-benzodioxol-5-ylmethyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide
CID 109120487
3-(1,3-benzodioxol-5-ylmethylamino)-N-quinolin-8-ylpropanamide
CID 109022845
N-(1,3-benzodioxol-5-ylmethyl)-3-bromopyridine-2-carboxamide
CID 107518056
N-(1,3-benzodioxol-5-ylmethyl)quinoline-8-sulfonamide
CID 2056026
2-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 47350006
6-(1,3-benzodioxol-5-ylmethylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109349300
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] isoquinoline-1-carboxylate
CID 71823403
3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-quinolin-8-ylbenzamide
CID 17425201
3-amino-N-(1,3-benzodioxol-5-ylmethyl)propanamide;hydrochloride
CID 51051992
1-N-(1,3-benzodioxol-5-ylmethyl)-4-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109047453
N-(1,3-benzodioxol-5-ylmethyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide
CID 728900

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-quinolin-8-ylacetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-quinolin-8-ylacetamide (CID 51306954) is N-(1,3-benzodioxol-5-ylmethyl)-2-quinolin-8-ylacetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-quinolin-8-ylacetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-quinolin-8-ylacetamide is O=C(Cc1cccc2cccnc12)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-quinolin-8-ylacetamide?
The InChIKey is DSGLVKPFVBYOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c22-18(10-15-4-1-3-14-5-2-8-20-19(14)15)21-11-13-6-7-16-17(9-13)24-12-23-16/h1-9H,10-12H2,(H,21,22).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-quinolin-8-ylacetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-quinolin-8-ylacetamide has a molecular weight of 320.35 g/mol, XLogP of 2.82, 4 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)-2-quinolin-8-ylacetamide is sourced from PubChem (CID 51306954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).