ethyl 1-cyclopropyl-8-(4-fluorophenyl)-9-methyl-4-oxoquinolizine-3-carboxylate

C22H20FNO3 — CID 86696578

IUPACethyl 1-cyclopropyl-8-(4-fluorophenyl)-9-methyl-4-oxoquinolizine-3-carboxylate
SMILESCCOC(=O)c1cc(C2CC2)c2c(C)c(-c3ccc(F)cc3)ccn2c1=O
InChIInChI=1S/C22H20FNO3/c1-3-27-22(26)19-12-18(15-4-5-15)20-13(2)17(10-11-24(20)21(19)25)14-6-8-16(23)9-7-14/h6-12,15H,3-5H2,1-2H3
InChIKeyFYNBHHXAZIYMMW-UHFFFAOYSA-N
MW365.40 g/mol
LogP4.47
Rot. Bonds4

About ethyl 1-cyclopropyl-8-(4-fluorophenyl)-9-methyl-4-oxoquinolizine-3-carboxylate

ethyl 1-cyclopropyl-8-(4-fluorophenyl)-9-methyl-4-oxoquinolizine-3-carboxylate (PubChem CID 86696578) has the molecular formula C22H20FNO3 and a molecular weight of 365.40 g/mol. Its IUPAC name is ethyl 1-cyclopropyl-8-(4-fluorophenyl)-9-methyl-4-oxoquinolizine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-cyclopropyl-8-(4-fluorophenyl)-9-methyl-4-oxoquinolizine-3-carboxylate
PubChem CID86696578
Molecular FormulaC22H20FNO3
Molecular Weight365.40 g/mol
Exact Mass365.14
IUPAC Nameethyl 1-cyclopropyl-8-(4-fluorophenyl)-9-methyl-4-oxoquinolizine-3-carboxylate
SMILESCCOC(=O)c1cc(C2CC2)c2c(C)c(-c3ccc(F)cc3)ccn2c1=O
InChIInChI=1S/C22H20FNO3/c1-3-27-22(26)19-12-18(15-4-5-15)20-13(2)17(10-11-24(20)21(19)25)14-6-8-16(23)9-7-14/h6-12,15H,3-5H2,1-2H3
InChIKeyFYNBHHXAZIYMMW-UHFFFAOYSA-N
XLogP4.47
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-cyclopropyl-8-(4-fluorophenyl)-9-methyl-4-oxoquinolizine-3-carboxylate?
The IUPAC name of ethyl 1-cyclopropyl-8-(4-fluorophenyl)-9-methyl-4-oxoquinolizine-3-carboxylate (CID 86696578) is ethyl 1-cyclopropyl-8-(4-fluorophenyl)-9-methyl-4-oxoquinolizine-3-carboxylate.
What is the SMILES notation for ethyl 1-cyclopropyl-8-(4-fluorophenyl)-9-methyl-4-oxoquinolizine-3-carboxylate?
The canonical SMILES for ethyl 1-cyclopropyl-8-(4-fluorophenyl)-9-methyl-4-oxoquinolizine-3-carboxylate is CCOC(=O)c1cc(C2CC2)c2c(C)c(-c3ccc(F)cc3)ccn2c1=O.
What is the InChIKey of ethyl 1-cyclopropyl-8-(4-fluorophenyl)-9-methyl-4-oxoquinolizine-3-carboxylate?
The InChIKey is FYNBHHXAZIYMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO3/c1-3-27-22(26)19-12-18(15-4-5-15)20-13(2)17(10-11-24(20)21(19)25)14-6-8-16(23)9-7-14/h6-12,15H,3-5H2,1-2H3.
What are the key properties of ethyl 1-cyclopropyl-8-(4-fluorophenyl)-9-methyl-4-oxoquinolizine-3-carboxylate?
ethyl 1-cyclopropyl-8-(4-fluorophenyl)-9-methyl-4-oxoquinolizine-3-carboxylate has a molecular weight of 365.40 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-cyclopropyl-8-(4-fluorophenyl)-9-methyl-4-oxoquinolizine-3-carboxylate is sourced from PubChem (CID 86696578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).