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

C17H14FNO4 — CID 47067869

IUPAC(2-fluorophenyl)methyl 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate
SMILESO=C1CCCc2[nH]c(=O)c(C(=O)OCc3ccccc3F)cc21
InChIInChI=1S/C17H14FNO4/c18-13-5-2-1-4-10(13)9-23-17(22)12-8-11-14(19-16(12)21)6-3-7-15(11)20/h1-2,4-5,8H,3,6-7,9H2,(H,19,21)
InChIKeyBTPWVNAFHJQGAI-UHFFFAOYSA-N
MW315.30 g/mol
LogP2.39
Rot. Bonds3

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

(2-fluorophenyl)methyl 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate (PubChem CID 47067869) has the molecular formula C17H14FNO4 and a molecular weight of 315.30 g/mol. Its IUPAC name is (2-fluorophenyl)methyl 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate
PubChem CID47067869
Molecular FormulaC17H14FNO4
Molecular Weight315.30 g/mol
Exact Mass315.09
IUPAC Name(2-fluorophenyl)methyl 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate
SMILESO=C1CCCc2[nH]c(=O)c(C(=O)OCc3ccccc3F)cc21
InChIInChI=1S/C17H14FNO4/c18-13-5-2-1-4-10(13)9-23-17(22)12-8-11-14(19-16(12)21)6-3-7-15(11)20/h1-2,4-5,8H,3,6-7,9H2,(H,19,21)
InChIKeyBTPWVNAFHJQGAI-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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Related Compounds

Ethyl 7-(4-fluorophenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 16426799
5-ethyl-3-[(2-fluorophenyl)methoxymethyl]-6-methyl-1H-pyridin-2-one
CID 493538
5-ethyl-3-[(3-fluorophenyl)methoxymethyl]-6-methyl-1H-pyridin-2-one
CID 493539
5-ethyl-3-[(4-fluorophenyl)methoxymethyl]-6-methyl-1H-pyridin-2-one
CID 493540
5-O-ethyl 3-O-methyl 4-(4-fluorophenyl)-2-oxo-6-propan-2-yl-1H-pyridine-3,5-dicarboxylate
CID 14726079
diethyl 4-(4-fluorophenyl)-2-oxo-6-propan-2-yl-1H-pyridine-3,5-dicarboxylate
CID 22004944
(4-fluorophenyl)methyl 6-[(4-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylate
CID 68836003
5-O-ethyl 3-O-methyl 2-cyclopentyl-4-(4-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylate
CID 141577959
Benzyl 5-acetyl-2-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate
CID 10016767
Benzyl 2-(1-acetamido-4-oxocyclohexa-2,5-dien-1-yl)acetate
CID 177853967
Methyl 7-(4-fluorophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate
CID 17036304
methyl (7S)-7-(4-fluorophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate
CID 29159256

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate?
The IUPAC name of (2-fluorophenyl)methyl 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate (CID 47067869) is (2-fluorophenyl)methyl 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate.
What is the SMILES notation for (2-fluorophenyl)methyl 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate?
The canonical SMILES for (2-fluorophenyl)methyl 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate is O=C1CCCc2[nH]c(=O)c(C(=O)OCc3ccccc3F)cc21.
What is the InChIKey of (2-fluorophenyl)methyl 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate?
The InChIKey is BTPWVNAFHJQGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO4/c18-13-5-2-1-4-10(13)9-23-17(22)12-8-11-14(19-16(12)21)6-3-7-15(11)20/h1-2,4-5,8H,3,6-7,9H2,(H,19,21).
What are the key properties of (2-fluorophenyl)methyl 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate?
(2-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 (2-fluorophenyl)methyl 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate is sourced from PubChem (CID 47067869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).