[(1S)-1-(4-fluorophenyl)propyl] 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate

C19H18FNO4 — CID 94737972

IUPAC[(1S)-1-(4-fluorophenyl)propyl] 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate
SMILESCC[C@H](OC(=O)c1cc2c([nH]c1=O)CCCC2=O)c1ccc(F)cc1
InChIInChI=1S/C19H18FNO4/c1-2-17(11-6-8-12(20)9-7-11)25-19(24)14-10-13-15(21-18(14)23)4-3-5-16(13)22/h6-10,17H,2-5H2,1H3,(H,21,23)/t17-/m0/s1
InChIKeyQFCOQPDDVZCOBW-KRWDZBQOSA-N
MW343.35 g/mol
LogP3.34
Rot. Bonds4

About [(1S)-1-(4-fluorophenyl)propyl] 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate

[(1S)-1-(4-fluorophenyl)propyl] 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate (PubChem CID 94737972) has the molecular formula C19H18FNO4 and a molecular weight of 343.35 g/mol. Its IUPAC name is [(1S)-1-(4-fluorophenyl)propyl] 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate.

Molecular Properties

Compound Name[(1S)-1-(4-fluorophenyl)propyl] 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate
PubChem CID94737972
Molecular FormulaC19H18FNO4
Molecular Weight343.35 g/mol
Exact Mass343.12
IUPAC Name[(1S)-1-(4-fluorophenyl)propyl] 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate
SMILESCC[C@H](OC(=O)c1cc2c([nH]c1=O)CCCC2=O)c1ccc(F)cc1
InChIInChI=1S/C19H18FNO4/c1-2-17(11-6-8-12(20)9-7-11)25-19(24)14-10-13-15(21-18(14)23)4-3-5-16(13)22/h6-10,17H,2-5H2,1H3,(H,21,23)/t17-/m0/s1
InChIKeyQFCOQPDDVZCOBW-KRWDZBQOSA-N
XLogP3.34
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(1S)-1-(4-fluorophenyl)propyl] 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate with MolForge

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Related Compounds

N-tert-butyl-4-ethenyl-2-(4-fluorophenyl)-2,5-dihydrofuran-3-carboxamide
CID 57328561
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
Ethyl 7-(4-fluorophenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 16426799
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
Ethyl 2,5-dioxo-7-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 13133975
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

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(4-fluorophenyl)propyl] 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate?
The IUPAC name of [(1S)-1-(4-fluorophenyl)propyl] 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate (CID 94737972) is [(1S)-1-(4-fluorophenyl)propyl] 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate.
What is the SMILES notation for [(1S)-1-(4-fluorophenyl)propyl] 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate?
The canonical SMILES for [(1S)-1-(4-fluorophenyl)propyl] 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate is CC[C@H](OC(=O)c1cc2c([nH]c1=O)CCCC2=O)c1ccc(F)cc1.
What is the InChIKey of [(1S)-1-(4-fluorophenyl)propyl] 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate?
The InChIKey is QFCOQPDDVZCOBW-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H18FNO4/c1-2-17(11-6-8-12(20)9-7-11)25-19(24)14-10-13-15(21-18(14)23)4-3-5-16(13)22/h6-10,17H,2-5H2,1H3,(H,21,23)/t17-/m0/s1.
What are the key properties of [(1S)-1-(4-fluorophenyl)propyl] 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate?
[(1S)-1-(4-fluorophenyl)propyl] 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate has a molecular weight of 343.35 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(4-fluorophenyl)propyl] 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate is sourced from PubChem (CID 94737972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).