6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[5-(hydroxymethyl)-1,3,4-thiadiazol-2-yl]acetyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one

C26H23N5O5S — CID 159154884

IUPAC6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[5-(hydroxymethyl)-1,3,4-thiadiazol-2-yl]acetyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one
SMILESCOc1cc2c(cc1-c1c(C)noc1C)cc(C(=O)Cc1nnc(CO)s1)c(=O)n2Cc1ccccn1
InChIInChI=1S/C26H23N5O5S/c1-14-25(15(2)36-30-14)19-9-16-8-18(21(33)11-23-28-29-24(13-32)37-23)26(34)31(20(16)10-22(19)35-3)12-17-6-4-5-7-27-17/h4-10,32H,11-13H2,1-3H3
InChIKeyKJTMNQZRKQMADC-UHFFFAOYSA-N
MW517.57 g/mol
LogP3.49
Rot. Bonds8

About 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[5-(hydroxymethyl)-1,3,4-thiadiazol-2-yl]acetyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one

6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[5-(hydroxymethyl)-1,3,4-thiadiazol-2-yl]acetyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one (PubChem CID 159154884) has the molecular formula C26H23N5O5S and a molecular weight of 517.57 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[5-(hydroxymethyl)-1,3,4-thiadiazol-2-yl]acetyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[5-(hydroxymethyl)-1,3,4-thiadiazol-2-yl]acetyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one
PubChem CID159154884
Molecular FormulaC26H23N5O5S
Molecular Weight517.57 g/mol
Exact Mass517.14
IUPAC Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[5-(hydroxymethyl)-1,3,4-thiadiazol-2-yl]acetyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one
SMILESCOc1cc2c(cc1-c1c(C)noc1C)cc(C(=O)Cc1nnc(CO)s1)c(=O)n2Cc1ccccn1
InChIInChI=1S/C26H23N5O5S/c1-14-25(15(2)36-30-14)19-9-16-8-18(21(33)11-23-28-29-24(13-32)37-23)26(34)31(20(16)10-22(19)35-3)12-17-6-4-5-7-27-17/h4-10,32H,11-13H2,1-3H3
InChIKeyKJTMNQZRKQMADC-UHFFFAOYSA-N
XLogP3.49
TPSA133.23 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.57
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[5-(hydroxymethyl)-1,3,4-thiadiazol-2-yl]acetyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[5-(hydroxymethyl)-1,3,4-thiadiazol-2-yl]acetyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one?
The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[5-(hydroxymethyl)-1,3,4-thiadiazol-2-yl]acetyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one (CID 159154884) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[5-(hydroxymethyl)-1,3,4-thiadiazol-2-yl]acetyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one.
What is the SMILES notation for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[5-(hydroxymethyl)-1,3,4-thiadiazol-2-yl]acetyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one?
The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[5-(hydroxymethyl)-1,3,4-thiadiazol-2-yl]acetyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one is COc1cc2c(cc1-c1c(C)noc1C)cc(C(=O)Cc1nnc(CO)s1)c(=O)n2Cc1ccccn1.
What is the InChIKey of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[5-(hydroxymethyl)-1,3,4-thiadiazol-2-yl]acetyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one?
The InChIKey is KJTMNQZRKQMADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O5S/c1-14-25(15(2)36-30-14)19-9-16-8-18(21(33)11-23-28-29-24(13-32)37-23)26(34)31(20(16)10-22(19)35-3)12-17-6-4-5-7-27-17/h4-10,32H,11-13H2,1-3H3.
What are the key properties of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[5-(hydroxymethyl)-1,3,4-thiadiazol-2-yl]acetyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one?
6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[5-(hydroxymethyl)-1,3,4-thiadiazol-2-yl]acetyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one has a molecular weight of 517.57 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[5-(hydroxymethyl)-1,3,4-thiadiazol-2-yl]acetyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one is sourced from PubChem (CID 159154884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).