methyl 8-(3-chlorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate

C19H14ClNO3S — CID 14770027

IUPACmethyl 8-(3-chlorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate
SMILESCOC(=O)c1cc(-c2cccc(Cl)c2)c(=O)n2c1-c1sccc1CC2
InChIInChI=1S/C19H14ClNO3S/c1-24-19(23)15-10-14(12-3-2-4-13(20)9-12)18(22)21-7-5-11-6-8-25-17(11)16(15)21/h2-4,6,8-10H,5,7H2,1H3
InChIKeyPBAHETDONLJXSP-UHFFFAOYSA-N
MW371.85 g/mol
LogP4.24
Rot. Bonds2

About methyl 8-(3-chlorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate

methyl 8-(3-chlorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate (PubChem CID 14770027) has the molecular formula C19H14ClNO3S and a molecular weight of 371.85 g/mol. Its IUPAC name is methyl 8-(3-chlorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate.

Molecular Properties

Compound Namemethyl 8-(3-chlorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate
PubChem CID14770027
Molecular FormulaC19H14ClNO3S
Molecular Weight371.85 g/mol
Exact Mass371.04
IUPAC Namemethyl 8-(3-chlorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate
SMILESCOC(=O)c1cc(-c2cccc(Cl)c2)c(=O)n2c1-c1sccc1CC2
InChIInChI=1S/C19H14ClNO3S/c1-24-19(23)15-10-14(12-3-2-4-13(20)9-12)18(22)21-7-5-11-6-8-25-17(11)16(15)21/h2-4,6,8-10H,5,7H2,1H3
InChIKeyPBAHETDONLJXSP-UHFFFAOYSA-N
XLogP4.24
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.85
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 8-(3-chlorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate with MolForge

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Related Compounds

methyl 8-(2-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate
CID 152510654
10-acetyl-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizin-7-one
CID 14770037
10-acetyl-8-(3-fluorophenyl)-4,5-dihydrothieno[2,3-a]quinolizin-7-one
CID 19020483
N-(2-dimethylstannylethyl)-7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxamide;hydrochloride
CID 174261914
10-(2,6-dimethylmorpholine-4-carbonyl)-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizin-7-one
CID 14666690
10-(hydroxymethyl)-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizin-7-one
CID 14666699
2-(7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizin-10-yl)ethylcarbamic acid
CID 67828341
(7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizin-10-yl)methyl morpholine-4-carboxylate
CID 14666700
10-chloro-1-(4-methoxypiperidine-1-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one
CID 14770142
(10-chloro-4-oxo-3-phenyl-6,7-dihydrobenzo[a]quinolizin-1-yl)methyl acetate
CID 14770154
methyl 3-(3-chlorophenyl)-1-methylpyrrole-2-carboxylate
CID 117222996
methyl 7,7,11-trioxo-12-phenyl-3,7λ6-dithia-10-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,8,12-pentaene-14-carboxylate
CID 19020476

Frequently Asked Questions

What is the IUPAC name of methyl 8-(3-chlorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate?
The IUPAC name of methyl 8-(3-chlorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate (CID 14770027) is methyl 8-(3-chlorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate.
What is the SMILES notation for methyl 8-(3-chlorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate?
The canonical SMILES for methyl 8-(3-chlorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate is COC(=O)c1cc(-c2cccc(Cl)c2)c(=O)n2c1-c1sccc1CC2.
What is the InChIKey of methyl 8-(3-chlorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate?
The InChIKey is PBAHETDONLJXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO3S/c1-24-19(23)15-10-14(12-3-2-4-13(20)9-12)18(22)21-7-5-11-6-8-25-17(11)16(15)21/h2-4,6,8-10H,5,7H2,1H3.
What are the key properties of methyl 8-(3-chlorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate?
methyl 8-(3-chlorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate has a molecular weight of 371.85 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-(3-chlorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate is sourced from PubChem (CID 14770027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).