isoquinolin-1-yl(1,3-oxazolidin-2-yl)methanone

C13H12N2O2 — CID 175012058

IUPACisoquinolin-1-yl(1,3-oxazolidin-2-yl)methanone
SMILESO=C(c1nccc2ccccc12)C1NCCO1
InChIInChI=1S/C13H12N2O2/c16-12(13-15-7-8-17-13)11-10-4-2-1-3-9(10)5-6-14-11/h1-6,13,15H,7-8H2
InChIKeyBMLCDXAKDGVWDN-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.36
Rot. Bonds2

About isoquinolin-1-yl(1,3-oxazolidin-2-yl)methanone

isoquinolin-1-yl(1,3-oxazolidin-2-yl)methanone (PubChem CID 175012058) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is isoquinolin-1-yl(1,3-oxazolidin-2-yl)methanone.

Molecular Properties

Compound Nameisoquinolin-1-yl(1,3-oxazolidin-2-yl)methanone
PubChem CID175012058
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Nameisoquinolin-1-yl(1,3-oxazolidin-2-yl)methanone
SMILESO=C(c1nccc2ccccc12)C1NCCO1
InChIInChI=1S/C13H12N2O2/c16-12(13-15-7-8-17-13)11-10-4-2-1-3-9(10)5-6-14-11/h1-6,13,15H,7-8H2
InChIKeyBMLCDXAKDGVWDN-UHFFFAOYSA-N
XLogP1.36
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of isoquinolin-1-yl(1,3-oxazolidin-2-yl)methanone?
The IUPAC name of isoquinolin-1-yl(1,3-oxazolidin-2-yl)methanone (CID 175012058) is isoquinolin-1-yl(1,3-oxazolidin-2-yl)methanone.
What is the SMILES notation for isoquinolin-1-yl(1,3-oxazolidin-2-yl)methanone?
The canonical SMILES for isoquinolin-1-yl(1,3-oxazolidin-2-yl)methanone is O=C(c1nccc2ccccc12)C1NCCO1.
What is the InChIKey of isoquinolin-1-yl(1,3-oxazolidin-2-yl)methanone?
The InChIKey is BMLCDXAKDGVWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c16-12(13-15-7-8-17-13)11-10-4-2-1-3-9(10)5-6-14-11/h1-6,13,15H,7-8H2.
What are the key properties of isoquinolin-1-yl(1,3-oxazolidin-2-yl)methanone?
isoquinolin-1-yl(1,3-oxazolidin-2-yl)methanone has a molecular weight of 228.25 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-1-yl(1,3-oxazolidin-2-yl)methanone is sourced from PubChem (CID 175012058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).