8-phenyl-10-(pyrrolidine-1-carbonyl)thieno[2,3-a]quinolizin-7-one

C22H18N2O2S — CID 19020389

IUPAC8-phenyl-10-(pyrrolidine-1-carbonyl)thieno[2,3-a]quinolizin-7-one
SMILESO=C(c1cc(-c2ccccc2)c(=O)n2ccc3ccsc3c12)N1CCCC1
InChIInChI=1S/C22H18N2O2S/c25-21(23-10-4-5-11-23)18-14-17(15-6-2-1-3-7-15)22(26)24-12-8-16-9-13-27-20(16)19(18)24/h1-3,6-9,12-14H,4-5,10-11H2
InChIKeyJTCHSTDYKFNKMT-UHFFFAOYSA-N
MW374.47 g/mol
LogP4.42
Rot. Bonds2

About 8-phenyl-10-(pyrrolidine-1-carbonyl)thieno[2,3-a]quinolizin-7-one

8-phenyl-10-(pyrrolidine-1-carbonyl)thieno[2,3-a]quinolizin-7-one (PubChem CID 19020389) has the molecular formula C22H18N2O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is 8-phenyl-10-(pyrrolidine-1-carbonyl)thieno[2,3-a]quinolizin-7-one.

Molecular Properties

Compound Name8-phenyl-10-(pyrrolidine-1-carbonyl)thieno[2,3-a]quinolizin-7-one
PubChem CID19020389
Molecular FormulaC22H18N2O2S
Molecular Weight374.47 g/mol
Exact Mass374.11
IUPAC Name8-phenyl-10-(pyrrolidine-1-carbonyl)thieno[2,3-a]quinolizin-7-one
SMILESO=C(c1cc(-c2ccccc2)c(=O)n2ccc3ccsc3c12)N1CCCC1
InChIInChI=1S/C22H18N2O2S/c25-21(23-10-4-5-11-23)18-14-17(15-6-2-1-3-7-15)22(26)24-12-8-16-9-13-27-20(16)19(18)24/h1-3,6-9,12-14H,4-5,10-11H2
InChIKeyJTCHSTDYKFNKMT-UHFFFAOYSA-N
XLogP4.42
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-(3-hydroxypiperidine-1-carbonyl)-8-phenylthieno[2,3-a]quinolizin-7-one
CID 14770100
8-phenyl-10-(3-propan-2-yloxypyrrolidine-1-carbonyl)thieno[2,3-a]quinolizin-7-one
CID 14770085
10-(imidazole-1-carbonyl)-8-phenylthieno[2,3-a]quinolizin-7-one
CID 19353621
8-(4-methylphenyl)-7-oxothieno[2,3-a]quinolizine-10-carboxylic acid
CID 19353655
methyl 7-oxo-8-(4-phenylphenyl)thieno[2,3-a]quinolizine-10-carboxylate
CID 19353618
[(2R)-1-(7-oxo-8-phenylthieno[2,3-a]quinolizine-10-carbonyl)pyrrolidin-2-yl]methyl acetate
CID 22942350
N-(2-fluoroethyl)-7-oxo-8-phenylthieno[2,3-a]quinolizine-10-carboxamide
CID 14770112
2-morpholin-4-ylethyl 7-oxo-8-phenylthieno[2,3-a]quinolizine-10-carboxylate
CID 19353672
2-morpholin-4-ylethyl 7-oxo-8-phenylthieno[2,3-a]quinolizine-10-carboxylate;hydrochloride
CID 19353671
N-(3-methoxypropyl)-7-oxo-8-phenylthieno[2,3-a]quinolizine-10-carboxamide
CID 14666711
4-[di(propan-2-yl)amino]but-2-ynyl 7-oxo-8-phenylthieno[2,3-a]quinolizine-10-carboxylate
CID 19353666
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-phenyl-10-(pyrrolidine-1-carbonyl)thieno[2,3-a]quinolizin-7-one?
The IUPAC name of 8-phenyl-10-(pyrrolidine-1-carbonyl)thieno[2,3-a]quinolizin-7-one (CID 19020389) is 8-phenyl-10-(pyrrolidine-1-carbonyl)thieno[2,3-a]quinolizin-7-one.
What is the SMILES notation for 8-phenyl-10-(pyrrolidine-1-carbonyl)thieno[2,3-a]quinolizin-7-one?
The canonical SMILES for 8-phenyl-10-(pyrrolidine-1-carbonyl)thieno[2,3-a]quinolizin-7-one is O=C(c1cc(-c2ccccc2)c(=O)n2ccc3ccsc3c12)N1CCCC1.
What is the InChIKey of 8-phenyl-10-(pyrrolidine-1-carbonyl)thieno[2,3-a]quinolizin-7-one?
The InChIKey is JTCHSTDYKFNKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2S/c25-21(23-10-4-5-11-23)18-14-17(15-6-2-1-3-7-15)22(26)24-12-8-16-9-13-27-20(16)19(18)24/h1-3,6-9,12-14H,4-5,10-11H2.
What are the key properties of 8-phenyl-10-(pyrrolidine-1-carbonyl)thieno[2,3-a]quinolizin-7-one?
8-phenyl-10-(pyrrolidine-1-carbonyl)thieno[2,3-a]quinolizin-7-one has a molecular weight of 374.47 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-10-(pyrrolidine-1-carbonyl)thieno[2,3-a]quinolizin-7-one is sourced from PubChem (CID 19020389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).