8-(4-methylphenyl)-7-oxothieno[2,3-a]quinolizine-10-carboxylic acid

C19H13NO3S — CID 19353655

IUPAC8-(4-methylphenyl)-7-oxothieno[2,3-a]quinolizine-10-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)c3c4sccc4ccn3c2=O)cc1
InChIInChI=1S/C19H13NO3S/c1-11-2-4-12(5-3-11)14-10-15(19(22)23)16-17-13(7-9-24-17)6-8-20(16)18(14)21/h2-10H,1H3,(H,22,23)
InChIKeyZUASBEIRKYMABA-UHFFFAOYSA-N
MW335.38 g/mol
LogP4.19
Rot. Bonds2

About 8-(4-methylphenyl)-7-oxothieno[2,3-a]quinolizine-10-carboxylic acid

8-(4-methylphenyl)-7-oxothieno[2,3-a]quinolizine-10-carboxylic acid (PubChem CID 19353655) has the molecular formula C19H13NO3S and a molecular weight of 335.38 g/mol. Its IUPAC name is 8-(4-methylphenyl)-7-oxothieno[2,3-a]quinolizine-10-carboxylic acid.

Molecular Properties

Compound Name8-(4-methylphenyl)-7-oxothieno[2,3-a]quinolizine-10-carboxylic acid
PubChem CID19353655
Molecular FormulaC19H13NO3S
Molecular Weight335.38 g/mol
Exact Mass335.06
IUPAC Name8-(4-methylphenyl)-7-oxothieno[2,3-a]quinolizine-10-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)c3c4sccc4ccn3c2=O)cc1
InChIInChI=1S/C19H13NO3S/c1-11-2-4-12(5-3-11)14-10-15(19(22)23)16-17-13(7-9-24-17)6-8-20(16)18(14)21/h2-10H,1H3,(H,22,23)
InChIKeyZUASBEIRKYMABA-UHFFFAOYSA-N
XLogP4.19
TPSA58.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 7-oxo-8-(4-phenylphenyl)thieno[2,3-a]quinolizine-10-carboxylate
CID 19353618
8-phenyl-10-(pyrrolidine-1-carbonyl)thieno[2,3-a]quinolizin-7-one
CID 19020389
N-(2-fluoroethyl)-7-oxo-8-phenylthieno[2,3-a]quinolizine-10-carboxamide
CID 14770112
10-(imidazole-1-carbonyl)-8-phenylthieno[2,3-a]quinolizin-7-one
CID 19353621
N-(3-methoxypropyl)-7-oxo-8-phenylthieno[2,3-a]quinolizine-10-carboxamide
CID 14666711
10-(3-hydroxypiperidine-1-carbonyl)-8-phenylthieno[2,3-a]quinolizin-7-one
CID 14770100
4-[di(propan-2-yl)amino]but-2-ynyl 7-oxo-8-phenylthieno[2,3-a]quinolizine-10-carboxylate
CID 19353666
N-(furan-2-ylmethyl)-7-oxo-8-phenylthieno[2,3-a]quinolizine-10-carboxamide
CID 14770108
2-morpholin-4-ylethyl 7-oxo-8-phenylthieno[2,3-a]quinolizine-10-carboxylate
CID 19353672
[(2R)-1-(7-oxo-8-phenylthieno[2,3-a]quinolizine-10-carbonyl)pyrrolidin-2-yl]methyl acetate
CID 22942350
2-morpholin-4-ylethyl 7-oxo-8-phenylthieno[2,3-a]quinolizine-10-carboxylate;hydrochloride
CID 19353671
N-benzyl-N-(2-methoxyethyl)-7-oxo-8-(4-phenoxyphenyl)thieno[2,3-a]quinolizine-10-carboxamide
CID 56639286

Frequently Asked Questions

What is the IUPAC name of 8-(4-methylphenyl)-7-oxothieno[2,3-a]quinolizine-10-carboxylic acid?
The IUPAC name of 8-(4-methylphenyl)-7-oxothieno[2,3-a]quinolizine-10-carboxylic acid (CID 19353655) is 8-(4-methylphenyl)-7-oxothieno[2,3-a]quinolizine-10-carboxylic acid.
What is the SMILES notation for 8-(4-methylphenyl)-7-oxothieno[2,3-a]quinolizine-10-carboxylic acid?
The canonical SMILES for 8-(4-methylphenyl)-7-oxothieno[2,3-a]quinolizine-10-carboxylic acid is Cc1ccc(-c2cc(C(=O)O)c3c4sccc4ccn3c2=O)cc1.
What is the InChIKey of 8-(4-methylphenyl)-7-oxothieno[2,3-a]quinolizine-10-carboxylic acid?
The InChIKey is ZUASBEIRKYMABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO3S/c1-11-2-4-12(5-3-11)14-10-15(19(22)23)16-17-13(7-9-24-17)6-8-20(16)18(14)21/h2-10H,1H3,(H,22,23).
What are the key properties of 8-(4-methylphenyl)-7-oxothieno[2,3-a]quinolizine-10-carboxylic acid?
8-(4-methylphenyl)-7-oxothieno[2,3-a]quinolizine-10-carboxylic acid has a molecular weight of 335.38 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methylphenyl)-7-oxothieno[2,3-a]quinolizine-10-carboxylic acid is sourced from PubChem (CID 19353655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).