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

C21H18N4O2S — CID 153090856

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

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Related Compounds

6-[methoxy(pyrimidin-5-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide
CID 118400876
6-[hydroxy(pyridin-3-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide
CID 145975354
6-((5-fluoropyridin-3-yl)(hydroxy)methyl)-N-(4-methylthiazol-2-yl)quinoline-8-carboxamide
CID 118378695
1-[6-[Difluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 148174340
1-[6-[(5-Fluoro-3-pyridinyl)-hydroxymethyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 157953673
2-(5-Fluoro-2-pyridinyl)-1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]ethanone
CID 158169877
1-[6-[Fluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 158981932
1-[6-[Difluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[difluoro(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-(5-methyl-2-pyridinyl)ethanone;bis(2-(5-methyl-2-pyridinyl)-1-[6-(pyrimidine-5-carbonyl)quinolin-8-yl]ethanone);2-(6-methyl-2-pyridinyl)-1-[6-(pyrimidine-5-carbonyl)quinolin-8-yl]ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[6-(pyrimidine-5-carbonyl)quinolin-8-yl]ethanone
CID 160524514
1-[6-[Difluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[difluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-[fluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(5-methyl-2-pyridinyl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone
CID 160576040
2-((8,8-dimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)thio)-1-phenylethanone
CID 1079793
Ethyl 4-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]quinoline-3-carboxylate
CID 38467654
N-(4-acetylphenyl)-2-((8,8-dimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)thio)acetamide
CID 1299763

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).