Skip to content

1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone

C21H18N4O2S — CID 153090856

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
SMILESCOC(c1cncnc1)c1cc(C(=O)Cc2nc(C)cs2)c2ncccc2c1
InChIInChI=1S/C21H18N4O2S/c1-13-11-28-19(25-13)8-18(26)17-7-15(6-14-4-3-5-24-20(14)17)21(27-2)16-9-22-12-23-10-16/h3-7,9-12,21H,8H2,1-2H3
InChIKeyVPDHAVXCYKMNTF-UHFFFAOYSA-N
MW390.47 g/mol
LogP3.95
Rot. Bonds6

About 1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone

1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone (PubChem CID 153090856) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is 1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
PubChem CID153090856
Molecular FormulaC21H18N4O2S
Molecular Weight390.47 g/mol
Exact Mass390.12
IUPAC Name1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
SMILESCOC(c1cncnc1)c1cc(C(=O)Cc2nc(C)cs2)c2ncccc2c1
InChIInChI=1S/C21H18N4O2S/c1-13-11-28-19(25-13)8-18(26)17-7-15(6-14-4-3-5-24-20(14)17)21(27-2)16-9-22-12-23-10-16/h3-7,9-12,21H,8H2,1-2H3
InChIKeyVPDHAVXCYKMNTF-UHFFFAOYSA-N
XLogP3.95
TPSA77.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone 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 1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone (CID 153090856) is 1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone is COC(c1cncnc1)c1cc(C(=O)Cc2nc(C)cs2)c2ncccc2c1.
What is the InChIKey of 1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The InChIKey is VPDHAVXCYKMNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S/c1-13-11-28-19(25-13)8-18(26)17-7-15(6-14-4-3-5-24-20(14)17)21(27-2)16-9-22-12-23-10-16/h3-7,9-12,21H,8H2,1-2H3.
What are the key properties of 1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone has a molecular weight of 390.47 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 153090856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.