2,6-dimethoxy-3-[2-(2-methylquinolin-4-yl)-1,3-thiazol-4-yl]phenol

C21H18N2O3S — CID 103597586

IUPAC2,6-dimethoxy-3-[2-(2-methylquinolin-4-yl)-1,3-thiazol-4-yl]phenol
SMILESCOc1ccc(-c2csc(-c3cc(C)nc4ccccc34)n2)c(OC)c1O
InChIInChI=1S/C21H18N2O3S/c1-12-10-15(13-6-4-5-7-16(13)22-12)21-23-17(11-27-21)14-8-9-18(25-2)19(24)20(14)26-3/h4-11,24H,1-3H3
InChIKeyHQNWMHVBMBBXPP-UHFFFAOYSA-N
MW378.45 g/mol
LogP5.06
Rot. Bonds4

About 2,6-dimethoxy-3-[2-(2-methylquinolin-4-yl)-1,3-thiazol-4-yl]phenol

2,6-dimethoxy-3-[2-(2-methylquinolin-4-yl)-1,3-thiazol-4-yl]phenol (PubChem CID 103597586) has the molecular formula C21H18N2O3S and a molecular weight of 378.45 g/mol. Its IUPAC name is 2,6-dimethoxy-3-[2-(2-methylquinolin-4-yl)-1,3-thiazol-4-yl]phenol.

Molecular Properties

Compound Name2,6-dimethoxy-3-[2-(2-methylquinolin-4-yl)-1,3-thiazol-4-yl]phenol
PubChem CID103597586
Molecular FormulaC21H18N2O3S
Molecular Weight378.45 g/mol
Exact Mass378.10
IUPAC Name2,6-dimethoxy-3-[2-(2-methylquinolin-4-yl)-1,3-thiazol-4-yl]phenol
SMILESCOc1ccc(-c2csc(-c3cc(C)nc4ccccc34)n2)c(OC)c1O
InChIInChI=1S/C21H18N2O3S/c1-12-10-15(13-6-4-5-7-16(13)22-12)21-23-17(11-27-21)14-8-9-18(25-2)19(24)20(14)26-3/h4-11,24H,1-3H3
InChIKeyHQNWMHVBMBBXPP-UHFFFAOYSA-N
XLogP5.06
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.45
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-3-[2-(2-methylquinolin-4-yl)-1,3-thiazol-4-yl]phenol?
The IUPAC name of 2,6-dimethoxy-3-[2-(2-methylquinolin-4-yl)-1,3-thiazol-4-yl]phenol (CID 103597586) is 2,6-dimethoxy-3-[2-(2-methylquinolin-4-yl)-1,3-thiazol-4-yl]phenol.
What is the SMILES notation for 2,6-dimethoxy-3-[2-(2-methylquinolin-4-yl)-1,3-thiazol-4-yl]phenol?
The canonical SMILES for 2,6-dimethoxy-3-[2-(2-methylquinolin-4-yl)-1,3-thiazol-4-yl]phenol is COc1ccc(-c2csc(-c3cc(C)nc4ccccc34)n2)c(OC)c1O.
What is the InChIKey of 2,6-dimethoxy-3-[2-(2-methylquinolin-4-yl)-1,3-thiazol-4-yl]phenol?
The InChIKey is HQNWMHVBMBBXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3S/c1-12-10-15(13-6-4-5-7-16(13)22-12)21-23-17(11-27-21)14-8-9-18(25-2)19(24)20(14)26-3/h4-11,24H,1-3H3.
What are the key properties of 2,6-dimethoxy-3-[2-(2-methylquinolin-4-yl)-1,3-thiazol-4-yl]phenol?
2,6-dimethoxy-3-[2-(2-methylquinolin-4-yl)-1,3-thiazol-4-yl]phenol has a molecular weight of 378.45 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-3-[2-(2-methylquinolin-4-yl)-1,3-thiazol-4-yl]phenol is sourced from PubChem (CID 103597586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).