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

C19H18FNO4 — CID 48911699

IUPAC1-(4-fluorophenyl)propyl 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate
SMILESCCC(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)
InChIKeyQFCOQPDDVZCOBW-UHFFFAOYSA-N
MW343.35 g/mol
LogP3.34
Rot. Bonds4

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

1-(4-fluorophenyl)propyl 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate (PubChem CID 48911699) has the molecular formula C19H18FNO4 and a molecular weight of 343.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)propyl 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate.

Molecular Properties

Compound Name1-(4-fluorophenyl)propyl 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate
PubChem CID48911699
Molecular FormulaC19H18FNO4
Molecular Weight343.35 g/mol
Exact Mass343.12
IUPAC Name1-(4-fluorophenyl)propyl 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate
SMILESCCC(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)
InChIKeyQFCOQPDDVZCOBW-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)propyl 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate?
The IUPAC name of 1-(4-fluorophenyl)propyl 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate (CID 48911699) is 1-(4-fluorophenyl)propyl 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate.
What is the SMILES notation for 1-(4-fluorophenyl)propyl 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate?
The canonical SMILES for 1-(4-fluorophenyl)propyl 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate is CCC(OC(=O)c1cc2c([nH]c1=O)CCCC2=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)propyl 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate?
The InChIKey is QFCOQPDDVZCOBW-UHFFFAOYSA-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).
What are the key properties of 1-(4-fluorophenyl)propyl 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate?
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 1-(4-fluorophenyl)propyl 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate is sourced from PubChem (CID 48911699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).