6-[methoxy(pyrimidin-5-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide

C20H17N5O2S — CID 118400876

IUPAC6-[methoxy(pyrimidin-5-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide
SMILESCOC(c1cncnc1)c1cc(C(=O)Nc2nc(C)cs2)c2ncccc2c1
InChIInChI=1S/C20H17N5O2S/c1-12-10-28-20(24-12)25-19(26)16-7-14(6-13-4-3-5-23-17(13)16)18(27-2)15-8-21-11-22-9-15/h3-11,18H,1-2H3,(H,24,25,26)
InChIKeyOAWPWGZGTSFNAS-UHFFFAOYSA-N
MW391.46 g/mol
LogP3.78
Rot. Bonds5

About 6-[methoxy(pyrimidin-5-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide

6-[methoxy(pyrimidin-5-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide (PubChem CID 118400876) has the molecular formula C20H17N5O2S and a molecular weight of 391.46 g/mol. Its IUPAC name is 6-[methoxy(pyrimidin-5-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide.

Molecular Properties

Compound Name6-[methoxy(pyrimidin-5-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide
PubChem CID118400876
Molecular FormulaC20H17N5O2S
Molecular Weight391.46 g/mol
Exact Mass391.11
IUPAC Name6-[methoxy(pyrimidin-5-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide
SMILESCOC(c1cncnc1)c1cc(C(=O)Nc2nc(C)cs2)c2ncccc2c1
InChIInChI=1S/C20H17N5O2S/c1-12-10-28-20(24-12)25-19(26)16-7-14(6-13-4-3-5-23-17(13)16)18(27-2)15-8-21-11-22-9-15/h3-11,18H,1-2H3,(H,24,25,26)
InChIKeyOAWPWGZGTSFNAS-UHFFFAOYSA-N
XLogP3.78
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.46
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[methoxy(pyrimidin-5-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide?
The IUPAC name of 6-[methoxy(pyrimidin-5-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide (CID 118400876) is 6-[methoxy(pyrimidin-5-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide.
What is the SMILES notation for 6-[methoxy(pyrimidin-5-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide?
The canonical SMILES for 6-[methoxy(pyrimidin-5-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide is COC(c1cncnc1)c1cc(C(=O)Nc2nc(C)cs2)c2ncccc2c1.
What is the InChIKey of 6-[methoxy(pyrimidin-5-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide?
The InChIKey is OAWPWGZGTSFNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2S/c1-12-10-28-20(24-12)25-19(26)16-7-14(6-13-4-3-5-23-17(13)16)18(27-2)15-8-21-11-22-9-15/h3-11,18H,1-2H3,(H,24,25,26).
What are the key properties of 6-[methoxy(pyrimidin-5-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide?
6-[methoxy(pyrimidin-5-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide has a molecular weight of 391.46 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methoxy(pyrimidin-5-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide is sourced from PubChem (CID 118400876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).