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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Related Compounds

(s)-n-[2-Oxo-3-(3-pyridin-4-yl-1,4,5,6-tetrahydro-1,2-diaza-benzo[e]azulen-8-yl)-oxazolidin-5-ylmethyl]-acetamide
CID 10477067
(s)-n-[2-Oxo-3-(3-pyridin-3-yl-1,4,5,6-tetrahydro-1,2-diaza-benzo[e]azulen-8-yl)-oxazolidin-5-ylmethyl]-acetamide
CID 44441489
3-{1-Amino-4-[4-(1-methyl-1H-pyrazol-4-yl)-phenyl]-isoquinolin-6-yl}-oxazolidin-2-one
CID 118660581
2-[4-[4-(1-Methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]-1,2-thiazolidine 1,1-dioxide
CID 118660623
N-{4-[4-(1-Methyl-1H-pyrazol-4-yl)-phenyl]-isoquinolin-6-yl}-acetamide
CID 118660758
4-[[4-[5,7-Dimethyl-4-(2-methylpyrazol-3-yl)-6-quinolyl]phenyl]methyl]morpholine
CID 126593695
US11247989, Example 26
CID 132169078
US11247989, Example 27
CID 132169565
tert-butyl 4-[[(3R,4R)-1-[(3-fluorooxetan-3-yl)methyl]-3-(4-pyrazol-1-ylphenyl)piperidin-4-yl]methyl]-5,7-dimethylindole-1-carboxylate
CID 169209502
tert-butyl 4-[[(3R,4R)-1-(2-fluoroethyl)-3-(1-methylpyrazol-4-yl)piperidin-4-yl]methyl]-5,7-dimethylindole-1-carboxylate
CID 169209549
1-[4-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6-[1-(2-hydroxyethyl)piperidin-4-yl]isoindol-2-yl]ethanone
CID 176375918
4-[[4-[4-(2,5-Dimethylpyrazol-3-yl)-5,7-dimethyl-6-quinolyl]phenyl]methyl]morpholine
CID 126593694

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).