3-(5,6-dimethylpyridine-3-carbonyl)-1-[[6-(1,3-oxazol-2-yl)-2-pyridinyl]methyl]quinolin-4-one

C26H20N4O3 — CID 16731093

IUPAC3-(5,6-dimethylpyridine-3-carbonyl)-1-[[6-(1,3-oxazol-2-yl)-2-pyridinyl]methyl]quinolin-4-one
SMILESCc1cc(C(=O)c2cn(Cc3cccc(-c4ncco4)n3)c3ccccc3c2=O)cnc1C
InChIInChI=1S/C26H20N4O3/c1-16-12-18(13-28-17(16)2)24(31)21-15-30(23-9-4-3-7-20(23)25(21)32)14-19-6-5-8-22(29-19)26-27-10-11-33-26/h3-13,15H,14H2,1-2H3
InChIKeyDVNMUBUOHKCVKZ-UHFFFAOYSA-N
MW436.47 g/mol
LogP4.34
Rot. Bonds5

About 3-(5,6-dimethylpyridine-3-carbonyl)-1-[[6-(1,3-oxazol-2-yl)-2-pyridinyl]methyl]quinolin-4-one

3-(5,6-dimethylpyridine-3-carbonyl)-1-[[6-(1,3-oxazol-2-yl)-2-pyridinyl]methyl]quinolin-4-one (PubChem CID 16731093) has the molecular formula C26H20N4O3 and a molecular weight of 436.47 g/mol. Its IUPAC name is 3-(5,6-dimethylpyridine-3-carbonyl)-1-[[6-(1,3-oxazol-2-yl)-2-pyridinyl]methyl]quinolin-4-one.

Molecular Properties

Compound Name3-(5,6-dimethylpyridine-3-carbonyl)-1-[[6-(1,3-oxazol-2-yl)-2-pyridinyl]methyl]quinolin-4-one
PubChem CID16731093
Molecular FormulaC26H20N4O3
Molecular Weight436.47 g/mol
Exact Mass436.15
IUPAC Name3-(5,6-dimethylpyridine-3-carbonyl)-1-[[6-(1,3-oxazol-2-yl)-2-pyridinyl]methyl]quinolin-4-one
SMILESCc1cc(C(=O)c2cn(Cc3cccc(-c4ncco4)n3)c3ccccc3c2=O)cnc1C
InChIInChI=1S/C26H20N4O3/c1-16-12-18(13-28-17(16)2)24(31)21-15-30(23-9-4-3-7-20(23)25(21)32)14-19-6-5-8-22(29-19)26-27-10-11-33-26/h3-13,15H,14H2,1-2H3
InChIKeyDVNMUBUOHKCVKZ-UHFFFAOYSA-N
XLogP4.34
TPSA90.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dimethylpyridine-3-carbonyl)-1-[[6-(1,3-oxazol-2-yl)-2-pyridinyl]methyl]quinolin-4-one?
The IUPAC name of 3-(5,6-dimethylpyridine-3-carbonyl)-1-[[6-(1,3-oxazol-2-yl)-2-pyridinyl]methyl]quinolin-4-one (CID 16731093) is 3-(5,6-dimethylpyridine-3-carbonyl)-1-[[6-(1,3-oxazol-2-yl)-2-pyridinyl]methyl]quinolin-4-one.
What is the SMILES notation for 3-(5,6-dimethylpyridine-3-carbonyl)-1-[[6-(1,3-oxazol-2-yl)-2-pyridinyl]methyl]quinolin-4-one?
The canonical SMILES for 3-(5,6-dimethylpyridine-3-carbonyl)-1-[[6-(1,3-oxazol-2-yl)-2-pyridinyl]methyl]quinolin-4-one is Cc1cc(C(=O)c2cn(Cc3cccc(-c4ncco4)n3)c3ccccc3c2=O)cnc1C.
What is the InChIKey of 3-(5,6-dimethylpyridine-3-carbonyl)-1-[[6-(1,3-oxazol-2-yl)-2-pyridinyl]methyl]quinolin-4-one?
The InChIKey is DVNMUBUOHKCVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O3/c1-16-12-18(13-28-17(16)2)24(31)21-15-30(23-9-4-3-7-20(23)25(21)32)14-19-6-5-8-22(29-19)26-27-10-11-33-26/h3-13,15H,14H2,1-2H3.
What are the key properties of 3-(5,6-dimethylpyridine-3-carbonyl)-1-[[6-(1,3-oxazol-2-yl)-2-pyridinyl]methyl]quinolin-4-one?
3-(5,6-dimethylpyridine-3-carbonyl)-1-[[6-(1,3-oxazol-2-yl)-2-pyridinyl]methyl]quinolin-4-one has a molecular weight of 436.47 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dimethylpyridine-3-carbonyl)-1-[[6-(1,3-oxazol-2-yl)-2-pyridinyl]methyl]quinolin-4-one is sourced from PubChem (CID 16731093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).