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

C26H22N4O3 — CID 135203449

IUPAC8-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(pyridin-4-ylmethoxy)-1-(pyridin-2-ylmethyl)quinolin-2-one
SMILESCc1noc(C)c1-c1c(OCc2ccncc2)ccc2ccc(=O)n(Cc3ccccn3)c12
InChIInChI=1S/C26H22N4O3/c1-17-24(18(2)33-29-17)25-22(32-16-19-10-13-27-14-11-19)8-6-20-7-9-23(31)30(26(20)25)15-21-5-3-4-12-28-21/h3-14H,15-16H2,1-2H3
InChIKeyCNGRGIXBZFTWEZ-UHFFFAOYSA-N
MW438.49 g/mol
LogP4.69
Rot. Bonds6

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

8-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(pyridin-4-ylmethoxy)-1-(pyridin-2-ylmethyl)quinolin-2-one (PubChem CID 135203449) has the molecular formula C26H22N4O3 and a molecular weight of 438.49 g/mol. Its IUPAC name is 8-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(pyridin-4-ylmethoxy)-1-(pyridin-2-ylmethyl)quinolin-2-one.

Molecular Properties

Compound Name8-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(pyridin-4-ylmethoxy)-1-(pyridin-2-ylmethyl)quinolin-2-one
PubChem CID135203449
Molecular FormulaC26H22N4O3
Molecular Weight438.49 g/mol
Exact Mass438.17
IUPAC Name8-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(pyridin-4-ylmethoxy)-1-(pyridin-2-ylmethyl)quinolin-2-one
SMILESCc1noc(C)c1-c1c(OCc2ccncc2)ccc2ccc(=O)n(Cc3ccccn3)c12
InChIInChI=1S/C26H22N4O3/c1-17-24(18(2)33-29-17)25-22(32-16-19-10-13-27-14-11-19)8-6-20-7-9-23(31)30(26(20)25)15-21-5-3-4-12-28-21/h3-14H,15-16H2,1-2H3
InChIKeyCNGRGIXBZFTWEZ-UHFFFAOYSA-N
XLogP4.69
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(pyridin-4-ylmethoxy)-1-(pyridin-2-ylmethyl)quinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

8-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one
CID 135203476
8-(3,5-dimethyl-1,2-oxazol-4-yl)-7-prop-2-enoxy-1-(pyridin-2-ylmethyl)quinolin-2-one
CID 135203447
8-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(2-pyridin-2-ylethyl)quinolin-2-one
CID 135203487
6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one
CID 118232448
1-[(4-chlorophenyl)methyl]-8-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyquinolin-2-one
CID 135203498
6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-hydroxy-1-(pyridin-2-ylmethyl)quinolin-2-one
CID 118232414
1-[(6-chloro-3-pyridinyl)methyl]-8-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyquinolin-2-one
CID 135203459
5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(pyridin-2-ylmethoxy)-1H-pyridin-2-one
CID 121379032
6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(4-fluorophenyl)acetyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one
CID 162170313
6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-3,4-dihydroquinolin-2-one
CID 118224630
7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(4-methoxyphenyl)methoxy]-N-(pyridin-2-ylmethyl)quinolin-4-amine
CID 146049918
2-ethyl-4-phenylmethoxy-1-(pyridin-2-ylmethyl)benzimidazole
CID 66760614

Frequently Asked Questions

What is the IUPAC name of 8-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(pyridin-4-ylmethoxy)-1-(pyridin-2-ylmethyl)quinolin-2-one?
The IUPAC name of 8-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(pyridin-4-ylmethoxy)-1-(pyridin-2-ylmethyl)quinolin-2-one (CID 135203449) is 8-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(pyridin-4-ylmethoxy)-1-(pyridin-2-ylmethyl)quinolin-2-one.
What is the SMILES notation for 8-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(pyridin-4-ylmethoxy)-1-(pyridin-2-ylmethyl)quinolin-2-one?
The canonical SMILES for 8-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(pyridin-4-ylmethoxy)-1-(pyridin-2-ylmethyl)quinolin-2-one is Cc1noc(C)c1-c1c(OCc2ccncc2)ccc2ccc(=O)n(Cc3ccccn3)c12.
What is the InChIKey of 8-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(pyridin-4-ylmethoxy)-1-(pyridin-2-ylmethyl)quinolin-2-one?
The InChIKey is CNGRGIXBZFTWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O3/c1-17-24(18(2)33-29-17)25-22(32-16-19-10-13-27-14-11-19)8-6-20-7-9-23(31)30(26(20)25)15-21-5-3-4-12-28-21/h3-14H,15-16H2,1-2H3.
What are the key properties of 8-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(pyridin-4-ylmethoxy)-1-(pyridin-2-ylmethyl)quinolin-2-one?
8-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(pyridin-4-ylmethoxy)-1-(pyridin-2-ylmethyl)quinolin-2-one has a molecular weight of 438.49 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(pyridin-4-ylmethoxy)-1-(pyridin-2-ylmethyl)quinolin-2-one is sourced from PubChem (CID 135203449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).