3-[2-[2-(2-methoxyethoxy)-4-pyridinyl]-1,3-thiazol-4-yl]-1H-quinolin-2-one

C20H17N3O3S — CID 22638610

IUPAC3-[2-[2-(2-methoxyethoxy)-4-pyridinyl]-1,3-thiazol-4-yl]-1H-quinolin-2-one
SMILESCOCCOc1cc(-c2nc(-c3cc4ccccc4[nH]c3=O)cs2)ccn1
InChIInChI=1S/C20H17N3O3S/c1-25-8-9-26-18-11-14(6-7-21-18)20-23-17(12-27-20)15-10-13-4-2-3-5-16(13)22-19(15)24/h2-7,10-12H,8-9H2,1H3,(H,22,24)
InChIKeyYIVQWJUMFYBHJX-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.74
Rot. Bonds6

About 3-[2-[2-(2-methoxyethoxy)-4-pyridinyl]-1,3-thiazol-4-yl]-1H-quinolin-2-one

3-[2-[2-(2-methoxyethoxy)-4-pyridinyl]-1,3-thiazol-4-yl]-1H-quinolin-2-one (PubChem CID 22638610) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is 3-[2-[2-(2-methoxyethoxy)-4-pyridinyl]-1,3-thiazol-4-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[2-[2-(2-methoxyethoxy)-4-pyridinyl]-1,3-thiazol-4-yl]-1H-quinolin-2-one
PubChem CID22638610
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC Name3-[2-[2-(2-methoxyethoxy)-4-pyridinyl]-1,3-thiazol-4-yl]-1H-quinolin-2-one
SMILESCOCCOc1cc(-c2nc(-c3cc4ccccc4[nH]c3=O)cs2)ccn1
InChIInChI=1S/C20H17N3O3S/c1-25-8-9-26-18-11-14(6-7-21-18)20-23-17(12-27-20)15-10-13-4-2-3-5-16(13)22-19(15)24/h2-7,10-12H,8-9H2,1H3,(H,22,24)
InChIKeyYIVQWJUMFYBHJX-UHFFFAOYSA-N
XLogP3.74
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[2-[2-(2-methoxyethoxy)-4-pyridinyl]-1,3-thiazol-4-yl]-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2-methoxyethoxy)-4-pyridinyl]-1,3-thiazol-4-yl]-1H-quinolin-2-one?
The IUPAC name of 3-[2-[2-(2-methoxyethoxy)-4-pyridinyl]-1,3-thiazol-4-yl]-1H-quinolin-2-one (CID 22638610) is 3-[2-[2-(2-methoxyethoxy)-4-pyridinyl]-1,3-thiazol-4-yl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[2-[2-(2-methoxyethoxy)-4-pyridinyl]-1,3-thiazol-4-yl]-1H-quinolin-2-one?
The canonical SMILES for 3-[2-[2-(2-methoxyethoxy)-4-pyridinyl]-1,3-thiazol-4-yl]-1H-quinolin-2-one is COCCOc1cc(-c2nc(-c3cc4ccccc4[nH]c3=O)cs2)ccn1.
What is the InChIKey of 3-[2-[2-(2-methoxyethoxy)-4-pyridinyl]-1,3-thiazol-4-yl]-1H-quinolin-2-one?
The InChIKey is YIVQWJUMFYBHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S/c1-25-8-9-26-18-11-14(6-7-21-18)20-23-17(12-27-20)15-10-13-4-2-3-5-16(13)22-19(15)24/h2-7,10-12H,8-9H2,1H3,(H,22,24).
What are the key properties of 3-[2-[2-(2-methoxyethoxy)-4-pyridinyl]-1,3-thiazol-4-yl]-1H-quinolin-2-one?
3-[2-[2-(2-methoxyethoxy)-4-pyridinyl]-1,3-thiazol-4-yl]-1H-quinolin-2-one has a molecular weight of 379.44 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-methoxyethoxy)-4-pyridinyl]-1,3-thiazol-4-yl]-1H-quinolin-2-one is sourced from PubChem (CID 22638610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).