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

C17H14FNO4 — CID 51089882

IUPAC(4-fluorophenyl)methyl 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate
SMILESO=C1CCCc2[nH]c(=O)c(C(=O)OCc3ccc(F)cc3)cc21
InChIInChI=1S/C17H14FNO4/c18-11-6-4-10(5-7-11)9-23-17(22)13-8-12-14(19-16(13)21)2-1-3-15(12)20/h4-8H,1-3,9H2,(H,19,21)
InChIKeyPNNDEIDNSJEWMP-UHFFFAOYSA-N
MW315.30 g/mol
LogP2.39
Rot. Bonds3

About (4-fluorophenyl)methyl 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate

(4-fluorophenyl)methyl 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate (PubChem CID 51089882) has the molecular formula C17H14FNO4 and a molecular weight of 315.30 g/mol. Its IUPAC name is (4-fluorophenyl)methyl 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate
PubChem CID51089882
Molecular FormulaC17H14FNO4
Molecular Weight315.30 g/mol
Exact Mass315.09
IUPAC Name(4-fluorophenyl)methyl 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate
SMILESO=C1CCCc2[nH]c(=O)c(C(=O)OCc3ccc(F)cc3)cc21
InChIInChI=1S/C17H14FNO4/c18-11-6-4-10(5-7-11)9-23-17(22)13-8-12-14(19-16(13)21)2-1-3-15(12)20/h4-8H,1-3,9H2,(H,19,21)
InChIKeyPNNDEIDNSJEWMP-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 (4-fluorophenyl)methyl 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate?
The IUPAC name of (4-fluorophenyl)methyl 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate (CID 51089882) is (4-fluorophenyl)methyl 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate.
What is the SMILES notation for (4-fluorophenyl)methyl 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate?
The canonical SMILES for (4-fluorophenyl)methyl 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate is O=C1CCCc2[nH]c(=O)c(C(=O)OCc3ccc(F)cc3)cc21.
What is the InChIKey of (4-fluorophenyl)methyl 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate?
The InChIKey is PNNDEIDNSJEWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO4/c18-11-6-4-10(5-7-11)9-23-17(22)13-8-12-14(19-16(13)21)2-1-3-15(12)20/h4-8H,1-3,9H2,(H,19,21).
What are the key properties of (4-fluorophenyl)methyl 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate?
(4-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 (4-fluorophenyl)methyl 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate is sourced from PubChem (CID 51089882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).