6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(5-fluoro-2-pyridinyl)methyl]-7-methoxyquinolin-2-one

C21H18FN3O3 — CID 118224690

IUPAC6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(5-fluoro-2-pyridinyl)methyl]-7-methoxyquinolin-2-one
SMILESCOc1cc2c(ccc(=O)n2Cc2ccc(F)cn2)cc1-c1c(C)noc1C
InChIInChI=1S/C21H18FN3O3/c1-12-21(13(2)28-24-12)17-8-14-4-7-20(26)25(18(14)9-19(17)27-3)11-16-6-5-15(22)10-23-16/h4-10H,11H2,1-3H3
InChIKeyVPTNNSOPNCOHQZ-UHFFFAOYSA-N
MW379.39 g/mol
LogP3.86
Rot. Bonds4

About 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(5-fluoro-2-pyridinyl)methyl]-7-methoxyquinolin-2-one

6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(5-fluoro-2-pyridinyl)methyl]-7-methoxyquinolin-2-one (PubChem CID 118224690) has the molecular formula C21H18FN3O3 and a molecular weight of 379.39 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(5-fluoro-2-pyridinyl)methyl]-7-methoxyquinolin-2-one.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(5-fluoro-2-pyridinyl)methyl]-7-methoxyquinolin-2-one
PubChem CID118224690
Molecular FormulaC21H18FN3O3
Molecular Weight379.39 g/mol
Exact Mass379.13
IUPAC Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(5-fluoro-2-pyridinyl)methyl]-7-methoxyquinolin-2-one
SMILESCOc1cc2c(ccc(=O)n2Cc2ccc(F)cn2)cc1-c1c(C)noc1C
InChIInChI=1S/C21H18FN3O3/c1-12-21(13(2)28-24-12)17-8-14-4-7-20(26)25(18(14)9-19(17)27-3)11-16-6-5-15(22)10-23-16/h4-10H,11H2,1-3H3
InChIKeyVPTNNSOPNCOHQZ-UHFFFAOYSA-N
XLogP3.86
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(5-fluoro-2-pyridinyl)methyl]-7-methoxyquinolin-2-one?
The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(5-fluoro-2-pyridinyl)methyl]-7-methoxyquinolin-2-one (CID 118224690) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(5-fluoro-2-pyridinyl)methyl]-7-methoxyquinolin-2-one.
What is the SMILES notation for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(5-fluoro-2-pyridinyl)methyl]-7-methoxyquinolin-2-one?
The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(5-fluoro-2-pyridinyl)methyl]-7-methoxyquinolin-2-one is COc1cc2c(ccc(=O)n2Cc2ccc(F)cn2)cc1-c1c(C)noc1C.
What is the InChIKey of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(5-fluoro-2-pyridinyl)methyl]-7-methoxyquinolin-2-one?
The InChIKey is VPTNNSOPNCOHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O3/c1-12-21(13(2)28-24-12)17-8-14-4-7-20(26)25(18(14)9-19(17)27-3)11-16-6-5-15(22)10-23-16/h4-10H,11H2,1-3H3.
What are the key properties of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(5-fluoro-2-pyridinyl)methyl]-7-methoxyquinolin-2-one?
6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(5-fluoro-2-pyridinyl)methyl]-7-methoxyquinolin-2-one has a molecular weight of 379.39 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(5-fluoro-2-pyridinyl)methyl]-7-methoxyquinolin-2-one is sourced from PubChem (CID 118224690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).