5,6-dimethyl-3-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyridazine-4-carbonitrile

C19H19N5O2 — CID 133325233

IUPAC5,6-dimethyl-3-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyridazine-4-carbonitrile
SMILESCc1nnc(N2CCc3c(cccc3N3CCOC3=O)C2)c(C#N)c1C
InChIInChI=1S/C19H19N5O2/c1-12-13(2)21-22-18(16(12)10-20)23-7-6-15-14(11-23)4-3-5-17(15)24-8-9-26-19(24)25/h3-5H,6-9,11H2,1-2H3
InChIKeyJSIAAGGZFCRWKZ-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.48
Rot. Bonds2

About 5,6-dimethyl-3-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyridazine-4-carbonitrile

5,6-dimethyl-3-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyridazine-4-carbonitrile (PubChem CID 133325233) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 5,6-dimethyl-3-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyridazine-4-carbonitrile
PubChem CID133325233
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name5,6-dimethyl-3-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyridazine-4-carbonitrile
SMILESCc1nnc(N2CCc3c(cccc3N3CCOC3=O)C2)c(C#N)c1C
InChIInChI=1S/C19H19N5O2/c1-12-13(2)21-22-18(16(12)10-20)23-7-6-15-14(11-23)4-3-5-17(15)24-8-9-26-19(24)25/h3-5H,6-9,11H2,1-2H3
InChIKeyJSIAAGGZFCRWKZ-UHFFFAOYSA-N
XLogP2.48
TPSA82.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyridazine-4-carbonitrile (CID 133325233) is 5,6-dimethyl-3-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyridazine-4-carbonitrile is Cc1nnc(N2CCc3c(cccc3N3CCOC3=O)C2)c(C#N)c1C.
What is the InChIKey of 5,6-dimethyl-3-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyridazine-4-carbonitrile?
The InChIKey is JSIAAGGZFCRWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-12-13(2)21-22-18(16(12)10-20)23-7-6-15-14(11-23)4-3-5-17(15)24-8-9-26-19(24)25/h3-5H,6-9,11H2,1-2H3.
What are the key properties of 5,6-dimethyl-3-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyridazine-4-carbonitrile?
5,6-dimethyl-3-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyridazine-4-carbonitrile has a molecular weight of 349.39 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyridazine-4-carbonitrile is sourced from PubChem (CID 133325233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).