N-(1,3-benzodioxol-5-ylmethyl)-2-(1-oxoisoquinolin-2-yl)acetamide

C19H16N2O4 — CID 7284123

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-(1-oxoisoquinolin-2-yl)acetamide
SMILESO=C(Cn1ccc2ccccc2c1=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C19H16N2O4/c22-18(20-10-13-5-6-16-17(9-13)25-12-24-16)11-21-8-7-14-3-1-2-4-15(14)19(21)23/h1-9H,10-12H2,(H,20,22)
InChIKeyOSDPFIZBBLRZEP-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.05
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-2-(1-oxoisoquinolin-2-yl)acetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-(1-oxoisoquinolin-2-yl)acetamide (PubChem CID 7284123) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-(1-oxoisoquinolin-2-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-(1-oxoisoquinolin-2-yl)acetamide
PubChem CID7284123
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-(1-oxoisoquinolin-2-yl)acetamide
SMILESO=C(Cn1ccc2ccccc2c1=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C19H16N2O4/c22-18(20-10-13-5-6-16-17(9-13)25-12-24-16)11-21-8-7-14-3-1-2-4-15(14)19(21)23/h1-9H,10-12H2,(H,20,22)
InChIKeyOSDPFIZBBLRZEP-UHFFFAOYSA-N
XLogP2.05
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide
CID 53111882
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl)acetamide
CID 16956872
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-formylpyrrol-1-yl)acetamide
CID 71821970
N-(1,3-benzodioxol-5-ylmethyl)-2-(7-chloro-4-oxoquinolin-1-yl)acetamide
CID 100739164
N-(1,3-benzodioxol-5-ylmethyl)-4-indol-1-yl-4-oxobutanamide
CID 84556439
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-phenacylpiperazin-1-yl)acetamide
CID 11429359
N-(1,3-benzodioxol-5-ylmethyl)-3-pyrrol-1-ylpropanamide
CID 3238528
N-(1,3-benzodioxol-5-ylmethyl)-2-(7-oxo-3-phenyltriazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 7111154
N-(1,3-benzodioxol-5-ylmethyl)-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide
CID 7293213
3-amino-N-(1,3-benzodioxol-5-ylmethyl)propanamide;hydrochloride
CID 51051992
2-(1,3-benzodioxol-5-ylmethylamino)-N-naphthalen-1-ylacetamide
CID 43816753
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide
CID 9326599

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(1-oxoisoquinolin-2-yl)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(1-oxoisoquinolin-2-yl)acetamide (CID 7284123) is N-(1,3-benzodioxol-5-ylmethyl)-2-(1-oxoisoquinolin-2-yl)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-(1-oxoisoquinolin-2-yl)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-(1-oxoisoquinolin-2-yl)acetamide is O=C(Cn1ccc2ccccc2c1=O)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-(1-oxoisoquinolin-2-yl)acetamide?
The InChIKey is OSDPFIZBBLRZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c22-18(20-10-13-5-6-16-17(9-13)25-12-24-16)11-21-8-7-14-3-1-2-4-15(14)19(21)23/h1-9H,10-12H2,(H,20,22).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-(1-oxoisoquinolin-2-yl)acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-(1-oxoisoquinolin-2-yl)acetamide has a molecular weight of 336.35 g/mol, XLogP of 2.05, 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-ylmethyl)-2-(1-oxoisoquinolin-2-yl)acetamide is sourced from PubChem (CID 7284123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).