3-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one

C17H11N3OS — CID 10236551

IUPAC3-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1-c1csc(-c2cccnc2)n1
InChIInChI=1S/C17H11N3OS/c21-16-13(8-11-4-1-2-6-14(11)19-16)15-10-22-17(20-15)12-5-3-7-18-9-12/h1-10H,(H,19,21)
InChIKeyFSEJNURQBJZNAM-UHFFFAOYSA-N
MW305.36 g/mol
LogP3.71
Rot. Bonds2

About 3-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one

3-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one (PubChem CID 10236551) has the molecular formula C17H11N3OS and a molecular weight of 305.36 g/mol. Its IUPAC name is 3-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one
PubChem CID10236551
Molecular FormulaC17H11N3OS
Molecular Weight305.36 g/mol
Exact Mass305.06
IUPAC Name3-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1-c1csc(-c2cccnc2)n1
InChIInChI=1S/C17H11N3OS/c21-16-13(8-11-4-1-2-6-14(11)19-16)15-10-22-17(20-15)12-5-3-7-18-9-12/h1-10H,(H,19,21)
InChIKeyFSEJNURQBJZNAM-UHFFFAOYSA-N
XLogP3.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one?
The IUPAC name of 3-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one (CID 10236551) is 3-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one.
What is the SMILES notation for 3-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one?
The canonical SMILES for 3-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one is O=c1[nH]c2ccccc2cc1-c1csc(-c2cccnc2)n1.
What is the InChIKey of 3-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one?
The InChIKey is FSEJNURQBJZNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3OS/c21-16-13(8-11-4-1-2-6-14(11)19-16)15-10-22-17(20-15)12-5-3-7-18-9-12/h1-10H,(H,19,21).
What are the key properties of 3-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one?
3-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one has a molecular weight of 305.36 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one is sourced from PubChem (CID 10236551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).