8-methoxy-4-oxo-N-(1,3-thiazol-2-yl)-1H-quinoline-3-carboxamide

C14H11N3O3S — CID 14140509

IUPAC8-methoxy-4-oxo-N-(1,3-thiazol-2-yl)-1H-quinoline-3-carboxamide
SMILESCOc1cccc2c(=O)c(C(=O)Nc3nccs3)c[nH]c12
InChIInChI=1S/C14H11N3O3S/c1-20-10-4-2-3-8-11(10)16-7-9(12(8)18)13(19)17-14-15-5-6-21-14/h2-7H,1H3,(H,16,18)(H,15,17,19)
InChIKeyUALRXOVOZRYUSA-UHFFFAOYSA-N
MW301.33 g/mol
LogP2.25
Rot. Bonds3

About 8-methoxy-4-oxo-N-(1,3-thiazol-2-yl)-1H-quinoline-3-carboxamide

8-methoxy-4-oxo-N-(1,3-thiazol-2-yl)-1H-quinoline-3-carboxamide (PubChem CID 14140509) has the molecular formula C14H11N3O3S and a molecular weight of 301.33 g/mol. Its IUPAC name is 8-methoxy-4-oxo-N-(1,3-thiazol-2-yl)-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name8-methoxy-4-oxo-N-(1,3-thiazol-2-yl)-1H-quinoline-3-carboxamide
PubChem CID14140509
Molecular FormulaC14H11N3O3S
Molecular Weight301.33 g/mol
Exact Mass301.05
IUPAC Name8-methoxy-4-oxo-N-(1,3-thiazol-2-yl)-1H-quinoline-3-carboxamide
SMILESCOc1cccc2c(=O)c(C(=O)Nc3nccs3)c[nH]c12
InChIInChI=1S/C14H11N3O3S/c1-20-10-4-2-3-8-11(10)16-7-9(12(8)18)13(19)17-14-15-5-6-21-14/h2-7H,1H3,(H,16,18)(H,15,17,19)
InChIKeyUALRXOVOZRYUSA-UHFFFAOYSA-N
XLogP2.25
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-4-oxo-N-(1,3-thiazol-2-yl)-1H-quinoline-3-carboxamide?
The IUPAC name of 8-methoxy-4-oxo-N-(1,3-thiazol-2-yl)-1H-quinoline-3-carboxamide (CID 14140509) is 8-methoxy-4-oxo-N-(1,3-thiazol-2-yl)-1H-quinoline-3-carboxamide.
What is the SMILES notation for 8-methoxy-4-oxo-N-(1,3-thiazol-2-yl)-1H-quinoline-3-carboxamide?
The canonical SMILES for 8-methoxy-4-oxo-N-(1,3-thiazol-2-yl)-1H-quinoline-3-carboxamide is COc1cccc2c(=O)c(C(=O)Nc3nccs3)c[nH]c12.
What is the InChIKey of 8-methoxy-4-oxo-N-(1,3-thiazol-2-yl)-1H-quinoline-3-carboxamide?
The InChIKey is UALRXOVOZRYUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3S/c1-20-10-4-2-3-8-11(10)16-7-9(12(8)18)13(19)17-14-15-5-6-21-14/h2-7H,1H3,(H,16,18)(H,15,17,19).
What are the key properties of 8-methoxy-4-oxo-N-(1,3-thiazol-2-yl)-1H-quinoline-3-carboxamide?
8-methoxy-4-oxo-N-(1,3-thiazol-2-yl)-1H-quinoline-3-carboxamide has a molecular weight of 301.33 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-4-oxo-N-(1,3-thiazol-2-yl)-1H-quinoline-3-carboxamide is sourced from PubChem (CID 14140509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).