N-(4-fluorophenyl)-7-(furan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide

C20H15FN2O4 — CID 53086134

IUPACN-(4-fluorophenyl)-7-(furan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESO=C1CC(c2ccco2)Cc2[nH]c(=O)c(C(=O)Nc3ccc(F)cc3)cc21
InChIInChI=1S/C20H15FN2O4/c21-12-3-5-13(6-4-12)22-19(25)15-10-14-16(23-20(15)26)8-11(9-17(14)24)18-2-1-7-27-18/h1-7,10-11H,8-9H2,(H,22,25)(H,23,26)
InChIKeyXNBBKORPUDLCOH-UHFFFAOYSA-N
MW366.35 g/mol
LogP3.27
Rot. Bonds3

About N-(4-fluorophenyl)-7-(furan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide

N-(4-fluorophenyl)-7-(furan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 53086134) has the molecular formula C20H15FN2O4 and a molecular weight of 366.35 g/mol. Its IUPAC name is N-(4-fluorophenyl)-7-(furan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-7-(furan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID53086134
Molecular FormulaC20H15FN2O4
Molecular Weight366.35 g/mol
Exact Mass366.10
IUPAC NameN-(4-fluorophenyl)-7-(furan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESO=C1CC(c2ccco2)Cc2[nH]c(=O)c(C(=O)Nc3ccc(F)cc3)cc21
InChIInChI=1S/C20H15FN2O4/c21-12-3-5-13(6-4-12)22-19(25)15-10-14-16(23-20(15)26)8-11(9-17(14)24)18-2-1-7-27-18/h1-7,10-11H,8-9H2,(H,22,25)(H,23,26)
InChIKeyXNBBKORPUDLCOH-UHFFFAOYSA-N
XLogP3.27
TPSA92.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-7-(furan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-7-(furan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (CID 53086134) is N-(4-fluorophenyl)-7-(furan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-7-(furan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-7-(furan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide is O=C1CC(c2ccco2)Cc2[nH]c(=O)c(C(=O)Nc3ccc(F)cc3)cc21.
What is the InChIKey of N-(4-fluorophenyl)-7-(furan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is XNBBKORPUDLCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O4/c21-12-3-5-13(6-4-12)22-19(25)15-10-14-16(23-20(15)26)8-11(9-17(14)24)18-2-1-7-27-18/h1-7,10-11H,8-9H2,(H,22,25)(H,23,26).
What are the key properties of N-(4-fluorophenyl)-7-(furan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
N-(4-fluorophenyl)-7-(furan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 366.35 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-7-(furan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 53086134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).