2-[4-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxyethanol

C18H21N3O3S — CID 88583719

IUPAC2-[4-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxyethanol
SMILESCOc1cc(-c2csc(NC(C)C)n2)nc2cc(OCCO)ccc12
InChIInChI=1S/C18H21N3O3S/c1-11(2)19-18-21-16(10-25-18)15-9-17(23-3)13-5-4-12(24-7-6-22)8-14(13)20-15/h4-5,8-11,22H,6-7H2,1-3H3,(H,19,21)
InChIKeyZTKYAVSZXUCDRN-UHFFFAOYSA-N
MW359.45 g/mol
LogP3.56
Rot. Bonds7

About 2-[4-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxyethanol

2-[4-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxyethanol (PubChem CID 88583719) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 2-[4-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxyethanol.

Molecular Properties

Compound Name2-[4-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxyethanol
PubChem CID88583719
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name2-[4-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxyethanol
SMILESCOc1cc(-c2csc(NC(C)C)n2)nc2cc(OCCO)ccc12
InChIInChI=1S/C18H21N3O3S/c1-11(2)19-18-21-16(10-25-18)15-9-17(23-3)13-5-4-12(24-7-6-22)8-14(13)20-15/h4-5,8-11,22H,6-7H2,1-3H3,(H,19,21)
InChIKeyZTKYAVSZXUCDRN-UHFFFAOYSA-N
XLogP3.56
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxyethanol?
The IUPAC name of 2-[4-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxyethanol (CID 88583719) is 2-[4-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxyethanol.
What is the SMILES notation for 2-[4-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxyethanol?
The canonical SMILES for 2-[4-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxyethanol is COc1cc(-c2csc(NC(C)C)n2)nc2cc(OCCO)ccc12.
What is the InChIKey of 2-[4-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxyethanol?
The InChIKey is ZTKYAVSZXUCDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-11(2)19-18-21-16(10-25-18)15-9-17(23-3)13-5-4-12(24-7-6-22)8-14(13)20-15/h4-5,8-11,22H,6-7H2,1-3H3,(H,19,21).
What are the key properties of 2-[4-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxyethanol?
2-[4-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxyethanol has a molecular weight of 359.45 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxyethanol is sourced from PubChem (CID 88583719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).