3-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]-1,3-oxazolidin-2-one

C22H18N4O2 — CID 118660893

IUPAC3-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]-1,3-oxazolidin-2-one
SMILESCn1cc(-c2ccc(-c3cncc4ccc(N5CCOC5=O)cc34)cc2)cn1
InChIInChI=1S/C22H18N4O2/c1-25-14-18(12-24-25)15-2-4-16(5-3-15)21-13-23-11-17-6-7-19(10-20(17)21)26-8-9-28-22(26)27/h2-7,10-14H,8-9H2,1H3
InChIKeyZFKIMLOZPZTQJP-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.26
Rot. Bonds3

About 3-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]-1,3-oxazolidin-2-one

3-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]-1,3-oxazolidin-2-one (PubChem CID 118660893) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 3-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]-1,3-oxazolidin-2-one
PubChem CID118660893
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name3-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]-1,3-oxazolidin-2-one
SMILESCn1cc(-c2ccc(-c3cncc4ccc(N5CCOC5=O)cc34)cc2)cn1
InChIInChI=1S/C22H18N4O2/c1-25-14-18(12-24-25)15-2-4-16(5-3-15)21-13-23-11-17-6-7-19(10-20(17)21)26-8-9-28-22(26)27/h2-7,10-14H,8-9H2,1H3
InChIKeyZFKIMLOZPZTQJP-UHFFFAOYSA-N
XLogP4.26
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]-1,3-oxazolidin-2-one (CID 118660893) is 3-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]-1,3-oxazolidin-2-one is Cn1cc(-c2ccc(-c3cncc4ccc(N5CCOC5=O)cc34)cc2)cn1.
What is the InChIKey of 3-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]-1,3-oxazolidin-2-one?
The InChIKey is ZFKIMLOZPZTQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-25-14-18(12-24-25)15-2-4-16(5-3-15)21-13-23-11-17-6-7-19(10-20(17)21)26-8-9-28-22(26)27/h2-7,10-14H,8-9H2,1H3.
What are the key properties of 3-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]-1,3-oxazolidin-2-one?
3-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]-1,3-oxazolidin-2-one has a molecular weight of 370.41 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 118660893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).