6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2,2,4,4-tetramethyl-1H-quinolin-3-one

C19H24N2O3 — CID 122179358

IUPAC6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2,2,4,4-tetramethyl-1H-quinolin-3-one
SMILESCOc1cc2c(cc1-c1c(C)noc1C)C(C)(C)C(=O)C(C)(C)N2
InChIInChI=1S/C19H24N2O3/c1-10-16(11(2)24-21-10)12-8-13-14(9-15(12)23-7)20-19(5,6)17(22)18(13,3)4/h8-9,20H,1-7H3
InChIKeyIRRAQZJOCXAZHM-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.02
Rot. Bonds2

About 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2,2,4,4-tetramethyl-1H-quinolin-3-one

6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2,2,4,4-tetramethyl-1H-quinolin-3-one (PubChem CID 122179358) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2,2,4,4-tetramethyl-1H-quinolin-3-one.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2,2,4,4-tetramethyl-1H-quinolin-3-one
PubChem CID122179358
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2,2,4,4-tetramethyl-1H-quinolin-3-one
SMILESCOc1cc2c(cc1-c1c(C)noc1C)C(C)(C)C(=O)C(C)(C)N2
InChIInChI=1S/C19H24N2O3/c1-10-16(11(2)24-21-10)12-8-13-14(9-15(12)23-7)20-19(5,6)17(22)18(13,3)4/h8-9,20H,1-7H3
InChIKeyIRRAQZJOCXAZHM-UHFFFAOYSA-N
XLogP4.02
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2,2,4,4-tetramethyl-1H-quinolin-3-one?
The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2,2,4,4-tetramethyl-1H-quinolin-3-one (CID 122179358) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2,2,4,4-tetramethyl-1H-quinolin-3-one.
What is the SMILES notation for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2,2,4,4-tetramethyl-1H-quinolin-3-one?
The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2,2,4,4-tetramethyl-1H-quinolin-3-one is COc1cc2c(cc1-c1c(C)noc1C)C(C)(C)C(=O)C(C)(C)N2.
What is the InChIKey of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2,2,4,4-tetramethyl-1H-quinolin-3-one?
The InChIKey is IRRAQZJOCXAZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-10-16(11(2)24-21-10)12-8-13-14(9-15(12)23-7)20-19(5,6)17(22)18(13,3)4/h8-9,20H,1-7H3.
What are the key properties of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2,2,4,4-tetramethyl-1H-quinolin-3-one?
6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2,2,4,4-tetramethyl-1H-quinolin-3-one has a molecular weight of 328.41 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2,2,4,4-tetramethyl-1H-quinolin-3-one is sourced from PubChem (CID 122179358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).