7-methoxy-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide

C14H11N3O2S — CID 155524220

IUPAC7-methoxy-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)Nc3nccs3)cnc2c1
InChIInChI=1S/C14H11N3O2S/c1-19-11-3-2-9-6-10(8-16-12(9)7-11)13(18)17-14-15-4-5-20-14/h2-8H,1H3,(H,15,17,18)
InChIKeyOTKAZYGAKQTMJU-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.95
Rot. Bonds3

About 7-methoxy-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide

7-methoxy-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide (PubChem CID 155524220) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is 7-methoxy-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide
PubChem CID155524220
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC Name7-methoxy-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)Nc3nccs3)cnc2c1
InChIInChI=1S/C14H11N3O2S/c1-19-11-3-2-9-6-10(8-16-12(9)7-11)13(18)17-14-15-4-5-20-14/h2-8H,1H3,(H,15,17,18)
InChIKeyOTKAZYGAKQTMJU-UHFFFAOYSA-N
XLogP2.95
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide?
The IUPAC name of 7-methoxy-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide (CID 155524220) is 7-methoxy-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide.
What is the SMILES notation for 7-methoxy-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide?
The canonical SMILES for 7-methoxy-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide is COc1ccc2cc(C(=O)Nc3nccs3)cnc2c1.
What is the InChIKey of 7-methoxy-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide?
The InChIKey is OTKAZYGAKQTMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c1-19-11-3-2-9-6-10(8-16-12(9)7-11)13(18)17-14-15-4-5-20-14/h2-8H,1H3,(H,15,17,18).
What are the key properties of 7-methoxy-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide?
7-methoxy-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide has a molecular weight of 285.33 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide is sourced from PubChem (CID 155524220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).