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

C16H11N3O3S — CID 10131333

IUPAC7-methoxy-6-(1,3-oxazol-5-yl)-2-(1,3-thiazol-4-yl)-1H-quinolin-4-one
SMILESCOc1cc2[nH]c(-c3cscn3)cc(=O)c2cc1-c1cnco1
InChIInChI=1S/C16H11N3O3S/c1-21-15-4-11-9(2-10(15)16-5-17-7-22-16)14(20)3-12(19-11)13-6-23-8-18-13/h2-8H,1H3,(H,19,20)
InChIKeyRAKSNQZFBDNSBW-UHFFFAOYSA-N
MW325.35 g/mol
LogP3.32
Rot. Bonds3

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

7-methoxy-6-(1,3-oxazol-5-yl)-2-(1,3-thiazol-4-yl)-1H-quinolin-4-one (PubChem CID 10131333) has the molecular formula C16H11N3O3S and a molecular weight of 325.35 g/mol. Its IUPAC name is 7-methoxy-6-(1,3-oxazol-5-yl)-2-(1,3-thiazol-4-yl)-1H-quinolin-4-one.

Molecular Properties

Compound Name7-methoxy-6-(1,3-oxazol-5-yl)-2-(1,3-thiazol-4-yl)-1H-quinolin-4-one
PubChem CID10131333
Molecular FormulaC16H11N3O3S
Molecular Weight325.35 g/mol
Exact Mass325.05
IUPAC Name7-methoxy-6-(1,3-oxazol-5-yl)-2-(1,3-thiazol-4-yl)-1H-quinolin-4-one
SMILESCOc1cc2[nH]c(-c3cscn3)cc(=O)c2cc1-c1cnco1
InChIInChI=1S/C16H11N3O3S/c1-21-15-4-11-9(2-10(15)16-5-17-7-22-16)14(20)3-12(19-11)13-6-23-8-18-13/h2-8H,1H3,(H,19,20)
InChIKeyRAKSNQZFBDNSBW-UHFFFAOYSA-N
XLogP3.32
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-6-(1,3-oxazol-5-yl)-2-(1,3-thiazol-4-yl)-1H-quinolin-4-one?
The IUPAC name of 7-methoxy-6-(1,3-oxazol-5-yl)-2-(1,3-thiazol-4-yl)-1H-quinolin-4-one (CID 10131333) is 7-methoxy-6-(1,3-oxazol-5-yl)-2-(1,3-thiazol-4-yl)-1H-quinolin-4-one.
What is the SMILES notation for 7-methoxy-6-(1,3-oxazol-5-yl)-2-(1,3-thiazol-4-yl)-1H-quinolin-4-one?
The canonical SMILES for 7-methoxy-6-(1,3-oxazol-5-yl)-2-(1,3-thiazol-4-yl)-1H-quinolin-4-one is COc1cc2[nH]c(-c3cscn3)cc(=O)c2cc1-c1cnco1.
What is the InChIKey of 7-methoxy-6-(1,3-oxazol-5-yl)-2-(1,3-thiazol-4-yl)-1H-quinolin-4-one?
The InChIKey is RAKSNQZFBDNSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O3S/c1-21-15-4-11-9(2-10(15)16-5-17-7-22-16)14(20)3-12(19-11)13-6-23-8-18-13/h2-8H,1H3,(H,19,20).
What are the key properties of 7-methoxy-6-(1,3-oxazol-5-yl)-2-(1,3-thiazol-4-yl)-1H-quinolin-4-one?
7-methoxy-6-(1,3-oxazol-5-yl)-2-(1,3-thiazol-4-yl)-1H-quinolin-4-one has a molecular weight of 325.35 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-6-(1,3-oxazol-5-yl)-2-(1,3-thiazol-4-yl)-1H-quinolin-4-one is sourced from PubChem (CID 10131333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).