(3-fluorophenyl)methyl 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate

C17H14FNO4 — CID 51089881

IUPAC(3-fluorophenyl)methyl 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate
SMILESO=C1CCCc2[nH]c(=O)c(C(=O)OCc3cccc(F)c3)cc21
InChIInChI=1S/C17H14FNO4/c18-11-4-1-3-10(7-11)9-23-17(22)13-8-12-14(19-16(13)21)5-2-6-15(12)20/h1,3-4,7-8H,2,5-6,9H2,(H,19,21)
InChIKeyBHYIRFMVRVEBFF-UHFFFAOYSA-N
MW315.30 g/mol
LogP2.39
Rot. Bonds3

About (3-fluorophenyl)methyl 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate

(3-fluorophenyl)methyl 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate (PubChem CID 51089881) has the molecular formula C17H14FNO4 and a molecular weight of 315.30 g/mol. Its IUPAC name is (3-fluorophenyl)methyl 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate.

Molecular Properties

Compound Name(3-fluorophenyl)methyl 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate
PubChem CID51089881
Molecular FormulaC17H14FNO4
Molecular Weight315.30 g/mol
Exact Mass315.09
IUPAC Name(3-fluorophenyl)methyl 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate
SMILESO=C1CCCc2[nH]c(=O)c(C(=O)OCc3cccc(F)c3)cc21
InChIInChI=1S/C17H14FNO4/c18-11-4-1-3-10(7-11)9-23-17(22)13-8-12-14(19-16(13)21)5-2-6-15(12)20/h1,3-4,7-8H,2,5-6,9H2,(H,19,21)
InChIKeyBHYIRFMVRVEBFF-UHFFFAOYSA-N
XLogP2.39
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)methyl 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate?
The IUPAC name of (3-fluorophenyl)methyl 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate (CID 51089881) is (3-fluorophenyl)methyl 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate.
What is the SMILES notation for (3-fluorophenyl)methyl 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate?
The canonical SMILES for (3-fluorophenyl)methyl 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate is O=C1CCCc2[nH]c(=O)c(C(=O)OCc3cccc(F)c3)cc21.
What is the InChIKey of (3-fluorophenyl)methyl 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate?
The InChIKey is BHYIRFMVRVEBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO4/c18-11-4-1-3-10(7-11)9-23-17(22)13-8-12-14(19-16(13)21)5-2-6-15(12)20/h1,3-4,7-8H,2,5-6,9H2,(H,19,21).
What are the key properties of (3-fluorophenyl)methyl 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate?
(3-fluorophenyl)methyl 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate has a molecular weight of 315.30 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)methyl 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate is sourced from PubChem (CID 51089881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).