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

C22H18N4O2 — CID 133325125

IUPAC4-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]quinoline-2-carbonitrile
SMILESN#Cc1cc(N2CCc3c(cccc3N3CCOC3=O)C2)c2ccccc2n1
InChIInChI=1S/C22H18N4O2/c23-13-16-12-21(18-5-1-2-6-19(18)24-16)25-9-8-17-15(14-25)4-3-7-20(17)26-10-11-28-22(26)27/h1-7,12H,8-11,14H2
InChIKeyGQGYSZPIOUSIQJ-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.63
Rot. Bonds2

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

4-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]quinoline-2-carbonitrile (PubChem CID 133325125) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 4-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]quinoline-2-carbonitrile.

Molecular Properties

Compound Name4-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]quinoline-2-carbonitrile
PubChem CID133325125
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name4-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]quinoline-2-carbonitrile
SMILESN#Cc1cc(N2CCc3c(cccc3N3CCOC3=O)C2)c2ccccc2n1
InChIInChI=1S/C22H18N4O2/c23-13-16-12-21(18-5-1-2-6-19(18)24-16)25-9-8-17-15(14-25)4-3-7-20(17)26-10-11-28-22(26)27/h1-7,12H,8-11,14H2
InChIKeyGQGYSZPIOUSIQJ-UHFFFAOYSA-N
XLogP3.63
TPSA69.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]quinoline-2-carbonitrile?
The IUPAC name of 4-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]quinoline-2-carbonitrile (CID 133325125) is 4-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]quinoline-2-carbonitrile.
What is the SMILES notation for 4-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]quinoline-2-carbonitrile?
The canonical SMILES for 4-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]quinoline-2-carbonitrile is N#Cc1cc(N2CCc3c(cccc3N3CCOC3=O)C2)c2ccccc2n1.
What is the InChIKey of 4-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]quinoline-2-carbonitrile?
The InChIKey is GQGYSZPIOUSIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c23-13-16-12-21(18-5-1-2-6-19(18)24-16)25-9-8-17-15(14-25)4-3-7-20(17)26-10-11-28-22(26)27/h1-7,12H,8-11,14H2.
What are the key properties of 4-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]quinoline-2-carbonitrile?
4-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]quinoline-2-carbonitrile has a molecular weight of 370.41 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]quinoline-2-carbonitrile is sourced from PubChem (CID 133325125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).