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

C21H20N2O4 — CID 54679770

IUPAC1-(furan-2-ylmethyl)-4-hydroxy-2-oxo-N-phenyl-5,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESO=C(Nc1ccccc1)c1c(O)c2c(n(Cc3ccco3)c1=O)CCCC2
InChIInChI=1S/C21H20N2O4/c24-19-16-10-4-5-11-17(16)23(13-15-9-6-12-27-15)21(26)18(19)20(25)22-14-7-2-1-3-8-14/h1-3,6-9,12,24H,4-5,10-11,13H2,(H,22,25)
InChIKeyLMAYUMOHXSRVRJ-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.33
Rot. Bonds4

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

1-(furan-2-ylmethyl)-4-hydroxy-2-oxo-N-phenyl-5,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 54679770) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-4-hydroxy-2-oxo-N-phenyl-5,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-4-hydroxy-2-oxo-N-phenyl-5,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID54679770
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name1-(furan-2-ylmethyl)-4-hydroxy-2-oxo-N-phenyl-5,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESO=C(Nc1ccccc1)c1c(O)c2c(n(Cc3ccco3)c1=O)CCCC2
InChIInChI=1S/C21H20N2O4/c24-19-16-10-4-5-11-17(16)23(13-15-9-6-12-27-15)21(26)18(19)20(25)22-14-7-2-1-3-8-14/h1-3,6-9,12,24H,4-5,10-11,13H2,(H,22,25)
InChIKeyLMAYUMOHXSRVRJ-UHFFFAOYSA-N
XLogP3.33
TPSA84.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-4-hydroxy-2-oxo-N-phenyl-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of 1-(furan-2-ylmethyl)-4-hydroxy-2-oxo-N-phenyl-5,6,7,8-tetrahydroquinoline-3-carboxamide (CID 54679770) is 1-(furan-2-ylmethyl)-4-hydroxy-2-oxo-N-phenyl-5,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for 1-(furan-2-ylmethyl)-4-hydroxy-2-oxo-N-phenyl-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for 1-(furan-2-ylmethyl)-4-hydroxy-2-oxo-N-phenyl-5,6,7,8-tetrahydroquinoline-3-carboxamide is O=C(Nc1ccccc1)c1c(O)c2c(n(Cc3ccco3)c1=O)CCCC2.
What is the InChIKey of 1-(furan-2-ylmethyl)-4-hydroxy-2-oxo-N-phenyl-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is LMAYUMOHXSRVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c24-19-16-10-4-5-11-17(16)23(13-15-9-6-12-27-15)21(26)18(19)20(25)22-14-7-2-1-3-8-14/h1-3,6-9,12,24H,4-5,10-11,13H2,(H,22,25).
What are the key properties of 1-(furan-2-ylmethyl)-4-hydroxy-2-oxo-N-phenyl-5,6,7,8-tetrahydroquinoline-3-carboxamide?
1-(furan-2-ylmethyl)-4-hydroxy-2-oxo-N-phenyl-5,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 364.40 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-4-hydroxy-2-oxo-N-phenyl-5,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 54679770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).