N-(1,3-benzodioxol-5-ylmethyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide

C18H19N3O4 — CID 46360909

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
SMILESO=C(Cn1nc2c(cc1=O)CCCC2)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C18H19N3O4/c22-17(19-9-12-5-6-15-16(7-12)25-11-24-15)10-21-18(23)8-13-3-1-2-4-14(13)20-21/h5-8H,1-4,9-11H2,(H,19,22)
InChIKeyHJUSUVMBNOXADV-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.17
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide (PubChem CID 46360909) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
PubChem CID46360909
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
SMILESO=C(Cn1nc2c(cc1=O)CCCC2)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C18H19N3O4/c22-17(19-9-12-5-6-15-16(7-12)25-11-24-15)10-21-18(23)8-13-3-1-2-4-14(13)20-21/h5-8H,1-4,9-11H2,(H,19,22)
InChIKeyHJUSUVMBNOXADV-UHFFFAOYSA-N
XLogP1.17
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide (CID 46360909) is N-(1,3-benzodioxol-5-ylmethyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide is O=C(Cn1nc2c(cc1=O)CCCC2)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide?
The InChIKey is HJUSUVMBNOXADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c22-17(19-9-12-5-6-15-16(7-12)25-11-24-15)10-21-18(23)8-13-3-1-2-4-14(13)20-21/h5-8H,1-4,9-11H2,(H,19,22).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide has a molecular weight of 341.37 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide is sourced from PubChem (CID 46360909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).