8-(3,5-dimethyl-1,2-oxazol-4-yl)-7-prop-2-enoxy-1-(pyridin-2-ylmethyl)quinolin-2-one

C23H21N3O3 — CID 135203447

IUPAC8-(3,5-dimethyl-1,2-oxazol-4-yl)-7-prop-2-enoxy-1-(pyridin-2-ylmethyl)quinolin-2-one
SMILESC=CCOc1ccc2ccc(=O)n(Cc3ccccn3)c2c1-c1c(C)noc1C
InChIInChI=1S/C23H21N3O3/c1-4-13-28-19-10-8-17-9-11-20(27)26(14-18-7-5-6-12-24-18)23(17)22(19)21-15(2)25-29-16(21)3/h4-12H,1,13-14H2,2-3H3
InChIKeyVWGWFLJBXZMYFO-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.28
Rot. Bonds6

About 8-(3,5-dimethyl-1,2-oxazol-4-yl)-7-prop-2-enoxy-1-(pyridin-2-ylmethyl)quinolin-2-one

8-(3,5-dimethyl-1,2-oxazol-4-yl)-7-prop-2-enoxy-1-(pyridin-2-ylmethyl)quinolin-2-one (PubChem CID 135203447) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 8-(3,5-dimethyl-1,2-oxazol-4-yl)-7-prop-2-enoxy-1-(pyridin-2-ylmethyl)quinolin-2-one.

Molecular Properties

Compound Name8-(3,5-dimethyl-1,2-oxazol-4-yl)-7-prop-2-enoxy-1-(pyridin-2-ylmethyl)quinolin-2-one
PubChem CID135203447
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name8-(3,5-dimethyl-1,2-oxazol-4-yl)-7-prop-2-enoxy-1-(pyridin-2-ylmethyl)quinolin-2-one
SMILESC=CCOc1ccc2ccc(=O)n(Cc3ccccn3)c2c1-c1c(C)noc1C
InChIInChI=1S/C23H21N3O3/c1-4-13-28-19-10-8-17-9-11-20(27)26(14-18-7-5-6-12-24-18)23(17)22(19)21-15(2)25-29-16(21)3/h4-12H,1,13-14H2,2-3H3
InChIKeyVWGWFLJBXZMYFO-UHFFFAOYSA-N
XLogP4.28
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(3,5-dimethyl-1,2-oxazol-4-yl)-7-prop-2-enoxy-1-(pyridin-2-ylmethyl)quinolin-2-one?
The IUPAC name of 8-(3,5-dimethyl-1,2-oxazol-4-yl)-7-prop-2-enoxy-1-(pyridin-2-ylmethyl)quinolin-2-one (CID 135203447) is 8-(3,5-dimethyl-1,2-oxazol-4-yl)-7-prop-2-enoxy-1-(pyridin-2-ylmethyl)quinolin-2-one.
What is the SMILES notation for 8-(3,5-dimethyl-1,2-oxazol-4-yl)-7-prop-2-enoxy-1-(pyridin-2-ylmethyl)quinolin-2-one?
The canonical SMILES for 8-(3,5-dimethyl-1,2-oxazol-4-yl)-7-prop-2-enoxy-1-(pyridin-2-ylmethyl)quinolin-2-one is C=CCOc1ccc2ccc(=O)n(Cc3ccccn3)c2c1-c1c(C)noc1C.
What is the InChIKey of 8-(3,5-dimethyl-1,2-oxazol-4-yl)-7-prop-2-enoxy-1-(pyridin-2-ylmethyl)quinolin-2-one?
The InChIKey is VWGWFLJBXZMYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-4-13-28-19-10-8-17-9-11-20(27)26(14-18-7-5-6-12-24-18)23(17)22(19)21-15(2)25-29-16(21)3/h4-12H,1,13-14H2,2-3H3.
What are the key properties of 8-(3,5-dimethyl-1,2-oxazol-4-yl)-7-prop-2-enoxy-1-(pyridin-2-ylmethyl)quinolin-2-one?
8-(3,5-dimethyl-1,2-oxazol-4-yl)-7-prop-2-enoxy-1-(pyridin-2-ylmethyl)quinolin-2-one has a molecular weight of 387.44 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,5-dimethyl-1,2-oxazol-4-yl)-7-prop-2-enoxy-1-(pyridin-2-ylmethyl)quinolin-2-one is sourced from PubChem (CID 135203447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).