10-acetyl-8-(3-fluorophenyl)-4,5-dihydrothieno[2,3-a]quinolizin-7-one

C19H14FNO2S — CID 19020483

IUPAC10-acetyl-8-(3-fluorophenyl)-4,5-dihydrothieno[2,3-a]quinolizin-7-one
SMILESCC(=O)c1cc(-c2cccc(F)c2)c(=O)n2c1-c1sccc1CC2
InChIInChI=1S/C19H14FNO2S/c1-11(22)15-10-16(13-3-2-4-14(20)9-13)19(23)21-7-5-12-6-8-24-18(12)17(15)21/h2-4,6,8-10H,5,7H2,1H3
InChIKeyRGZSMPVBWVUJPA-UHFFFAOYSA-N
MW339.39 g/mol
LogP4.14
Rot. Bonds2

About 10-acetyl-8-(3-fluorophenyl)-4,5-dihydrothieno[2,3-a]quinolizin-7-one

10-acetyl-8-(3-fluorophenyl)-4,5-dihydrothieno[2,3-a]quinolizin-7-one (PubChem CID 19020483) has the molecular formula C19H14FNO2S and a molecular weight of 339.39 g/mol. Its IUPAC name is 10-acetyl-8-(3-fluorophenyl)-4,5-dihydrothieno[2,3-a]quinolizin-7-one.

Molecular Properties

Compound Name10-acetyl-8-(3-fluorophenyl)-4,5-dihydrothieno[2,3-a]quinolizin-7-one
PubChem CID19020483
Molecular FormulaC19H14FNO2S
Molecular Weight339.39 g/mol
Exact Mass339.07
IUPAC Name10-acetyl-8-(3-fluorophenyl)-4,5-dihydrothieno[2,3-a]quinolizin-7-one
SMILESCC(=O)c1cc(-c2cccc(F)c2)c(=O)n2c1-c1sccc1CC2
InChIInChI=1S/C19H14FNO2S/c1-11(22)15-10-16(13-3-2-4-14(20)9-13)19(23)21-7-5-12-6-8-24-18(12)17(15)21/h2-4,6,8-10H,5,7H2,1H3
InChIKeyRGZSMPVBWVUJPA-UHFFFAOYSA-N
XLogP4.14
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Phenyl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 2740735
(2,5-Difluorophenyl){1-[(3-methyl-2-thienyl)carbonyl]-3-piperidinyl}methanone
CID 16188890
5-acetyl-N-[1-(2-fluorobenzyl)-3-piperidinyl]-N-methyl-2-thiophenecarboxamide
CID 24791102
(2-fluorophenyl)-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 57325765
(2,5-Difluorophenyl){1-[(5-methyl-2-thienyl)carbonyl]-3-piperidinyl}methanone
CID 16190860
1-(5-{[3-(2,5-Difluorobenzoyl)-1-piperidinyl]carbonyl}-2-thienyl)ethanone
CID 16189923
[5-(4-Fluorobenzoyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl](4-propylpiperazino)methanone
CID 53159043
(4-Fluorophenyl)-[1-(5-thiophen-2-ylthiophene-2-carbonyl)piperidin-4-yl]methanone
CID 2814288
(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 2806299
(2,5-Difluorophenyl)[1-(2-thienylcarbonyl)piperidin-3-yl]methanone
CID 16190814
[5-(3,4-Difluorophenyl)thiophen-2-yl]-piperidin-1-ylmethanone
CID 24720318
4-fluoro-N~1~-methyl-N~1~-(3-thienylmethyl)benzamide
CID 25642250

Frequently Asked Questions

What is the IUPAC name of 10-acetyl-8-(3-fluorophenyl)-4,5-dihydrothieno[2,3-a]quinolizin-7-one?
The IUPAC name of 10-acetyl-8-(3-fluorophenyl)-4,5-dihydrothieno[2,3-a]quinolizin-7-one (CID 19020483) is 10-acetyl-8-(3-fluorophenyl)-4,5-dihydrothieno[2,3-a]quinolizin-7-one.
What is the SMILES notation for 10-acetyl-8-(3-fluorophenyl)-4,5-dihydrothieno[2,3-a]quinolizin-7-one?
The canonical SMILES for 10-acetyl-8-(3-fluorophenyl)-4,5-dihydrothieno[2,3-a]quinolizin-7-one is CC(=O)c1cc(-c2cccc(F)c2)c(=O)n2c1-c1sccc1CC2.
What is the InChIKey of 10-acetyl-8-(3-fluorophenyl)-4,5-dihydrothieno[2,3-a]quinolizin-7-one?
The InChIKey is RGZSMPVBWVUJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO2S/c1-11(22)15-10-16(13-3-2-4-14(20)9-13)19(23)21-7-5-12-6-8-24-18(12)17(15)21/h2-4,6,8-10H,5,7H2,1H3.
What are the key properties of 10-acetyl-8-(3-fluorophenyl)-4,5-dihydrothieno[2,3-a]quinolizin-7-one?
10-acetyl-8-(3-fluorophenyl)-4,5-dihydrothieno[2,3-a]quinolizin-7-one has a molecular weight of 339.39 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-acetyl-8-(3-fluorophenyl)-4,5-dihydrothieno[2,3-a]quinolizin-7-one is sourced from PubChem (CID 19020483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).