3,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one

C26H24N4O4 — CID 135367944

IUPAC3,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one
SMILESCOc1cc2c(cc1-c1c(C)noc1C)cc(-c1c(C)noc1C)c(=O)n2Cc1ccccn1
InChIInChI=1S/C26H24N4O4/c1-14-24(16(3)33-28-14)20-10-18-11-21(25-15(2)29-34-17(25)4)26(31)30(22(18)12-23(20)32-5)13-19-8-6-7-9-27-19/h6-12H,13H2,1-5H3
InChIKeyPDORJVXSRXYFNR-UHFFFAOYSA-N
MW456.50 g/mol
LogP5.00
Rot. Bonds5

About 3,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one

3,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one (PubChem CID 135367944) has the molecular formula C26H24N4O4 and a molecular weight of 456.50 g/mol. Its IUPAC name is 3,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one.

Molecular Properties

Compound Name3,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one
PubChem CID135367944
Molecular FormulaC26H24N4O4
Molecular Weight456.50 g/mol
Exact Mass456.18
IUPAC Name3,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one
SMILESCOc1cc2c(cc1-c1c(C)noc1C)cc(-c1c(C)noc1C)c(=O)n2Cc1ccccn1
InChIInChI=1S/C26H24N4O4/c1-14-24(16(3)33-28-14)20-10-18-11-21(25-15(2)29-34-17(25)4)26(31)30(22(18)12-23(20)32-5)13-19-8-6-7-9-27-19/h6-12H,13H2,1-5H3
InChIKeyPDORJVXSRXYFNR-UHFFFAOYSA-N
XLogP5.00
TPSA96.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one?
The IUPAC name of 3,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one (CID 135367944) is 3,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one.
What is the SMILES notation for 3,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one?
The canonical SMILES for 3,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one is COc1cc2c(cc1-c1c(C)noc1C)cc(-c1c(C)noc1C)c(=O)n2Cc1ccccn1.
What is the InChIKey of 3,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one?
The InChIKey is PDORJVXSRXYFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O4/c1-14-24(16(3)33-28-14)20-10-18-11-21(25-15(2)29-34-17(25)4)26(31)30(22(18)12-23(20)32-5)13-19-8-6-7-9-27-19/h6-12H,13H2,1-5H3.
What are the key properties of 3,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one?
3,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one has a molecular weight of 456.50 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one is sourced from PubChem (CID 135367944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).