N-(1,3-benzodioxol-5-yl)-2-quinolin-6-yloxyacetamide

C18H14N2O4 — CID 112978730

IUPACN-(1,3-benzodioxol-5-yl)-2-quinolin-6-yloxyacetamide
SMILESO=C(COc1ccc2ncccc2c1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C18H14N2O4/c21-18(20-13-3-6-16-17(9-13)24-11-23-16)10-22-14-4-5-15-12(8-14)2-1-7-19-15/h1-9H,10-11H2,(H,20,21)
InChIKeyLCSIYRKMTMQFKR-UHFFFAOYSA-N
MW322.32 g/mol
LogP2.98
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-2-quinolin-6-yloxyacetamide

N-(1,3-benzodioxol-5-yl)-2-quinolin-6-yloxyacetamide (PubChem CID 112978730) has the molecular formula C18H14N2O4 and a molecular weight of 322.32 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-quinolin-6-yloxyacetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-quinolin-6-yloxyacetamide
PubChem CID112978730
Molecular FormulaC18H14N2O4
Molecular Weight322.32 g/mol
Exact Mass322.10
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-quinolin-6-yloxyacetamide
SMILESO=C(COc1ccc2ncccc2c1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C18H14N2O4/c21-18(20-13-3-6-16-17(9-13)24-11-23-16)10-22-14-4-5-15-12(8-14)2-1-7-19-15/h1-9H,10-11H2,(H,20,21)
InChIKeyLCSIYRKMTMQFKR-UHFFFAOYSA-N
XLogP2.98
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-benzodioxol-5-yl)-3-(2-quinolin-6-yloxyethyl)urea
CID 112975914
N-(1,3-benzodioxol-5-yl)-2-pyridin-3-yloxyacetamide
CID 110863204
N-(4-methoxyphenyl)-2-quinolin-6-yloxyacetamide
CID 112978693
N-(1,3-benzodioxol-5-yl)-2-(6-bromonaphthalen-2-yl)oxyacetamide
CID 7786798
N-(3-chloro-4-methylphenyl)-2-quinolin-6-yloxyacetamide
CID 112978684
N-(4-bromo-3-methylphenyl)-2-quinolin-6-yloxyacetamide
CID 112978729
N,N-dimethyl-3-[(2-quinolin-6-yloxyacetyl)amino]benzamide
CID 60595070
N-(1,3-benzodioxol-5-yl)-2-(3-fluorophenoxy)acetamide
CID 2709600
N-(1,3-benzodioxol-5-yl)-2-[2-(trifluoromethyl)quinolin-7-yl]oxyacetamide
CID 47079144
methyl 3-[(2-quinolin-6-yloxyacetyl)amino]benzoate
CID 112978710
N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 2709578
N,N'-di(quinolin-6-yl)propanediamide
CID 2837594

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-quinolin-6-yloxyacetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-quinolin-6-yloxyacetamide (CID 112978730) is N-(1,3-benzodioxol-5-yl)-2-quinolin-6-yloxyacetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-quinolin-6-yloxyacetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-quinolin-6-yloxyacetamide is O=C(COc1ccc2ncccc2c1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-quinolin-6-yloxyacetamide?
The InChIKey is LCSIYRKMTMQFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4/c21-18(20-13-3-6-16-17(9-13)24-11-23-16)10-22-14-4-5-15-12(8-14)2-1-7-19-15/h1-9H,10-11H2,(H,20,21).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-quinolin-6-yloxyacetamide?
N-(1,3-benzodioxol-5-yl)-2-quinolin-6-yloxyacetamide has a molecular weight of 322.32 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-quinolin-6-yloxyacetamide is sourced from PubChem (CID 112978730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).