1-(furan-2-ylmethyl)-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carboxamide

C18H17N3O4S — CID 54683143

IUPAC1-(furan-2-ylmethyl)-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESO=C(Nc1nccs1)c1c(O)c2c(n(Cc3ccco3)c1=O)CCCC2
InChIInChI=1S/C18H17N3O4S/c22-15-12-5-1-2-6-13(12)21(10-11-4-3-8-25-11)17(24)14(15)16(23)20-18-19-7-9-26-18/h3-4,7-9,22H,1-2,5-6,10H2,(H,19,20,23)
InChIKeyOXZYERYJFHKNBM-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.78
Rot. Bonds4

About 1-(furan-2-ylmethyl)-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carboxamide

1-(furan-2-ylmethyl)-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 54683143) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID54683143
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC Name1-(furan-2-ylmethyl)-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESO=C(Nc1nccs1)c1c(O)c2c(n(Cc3ccco3)c1=O)CCCC2
InChIInChI=1S/C18H17N3O4S/c22-15-12-5-1-2-6-13(12)21(10-11-4-3-8-25-11)17(24)14(15)16(23)20-18-19-7-9-26-18/h3-4,7-9,22H,1-2,5-6,10H2,(H,19,20,23)
InChIKeyOXZYERYJFHKNBM-UHFFFAOYSA-N
XLogP2.78
TPSA97.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of 1-(furan-2-ylmethyl)-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carboxamide (CID 54683143) is 1-(furan-2-ylmethyl)-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for 1-(furan-2-ylmethyl)-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for 1-(furan-2-ylmethyl)-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carboxamide is O=C(Nc1nccs1)c1c(O)c2c(n(Cc3ccco3)c1=O)CCCC2.
What is the InChIKey of 1-(furan-2-ylmethyl)-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is OXZYERYJFHKNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c22-15-12-5-1-2-6-13(12)21(10-11-4-3-8-25-11)17(24)14(15)16(23)20-18-19-7-9-26-18/h3-4,7-9,22H,1-2,5-6,10H2,(H,19,20,23).
What are the key properties of 1-(furan-2-ylmethyl)-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carboxamide?
1-(furan-2-ylmethyl)-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 371.42 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 54683143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).