10-(3-hydroxypiperidine-1-carbonyl)-8-phenylthieno[2,3-a]quinolizin-7-one

C23H20N2O3S — CID 14770100

IUPAC10-(3-hydroxypiperidine-1-carbonyl)-8-phenylthieno[2,3-a]quinolizin-7-one
SMILESO=C(c1cc(-c2ccccc2)c(=O)n2ccc3ccsc3c12)N1CCCC(O)C1
InChIInChI=1S/C23H20N2O3S/c26-17-7-4-10-24(14-17)22(27)19-13-18(15-5-2-1-3-6-15)23(28)25-11-8-16-9-12-29-21(16)20(19)25/h1-3,5-6,8-9,11-13,17,26H,4,7,10,14H2
InChIKeyJYKYEJQQUFFYLC-UHFFFAOYSA-N
MW404.49 g/mol
LogP3.78
Rot. Bonds2

About 10-(3-hydroxypiperidine-1-carbonyl)-8-phenylthieno[2,3-a]quinolizin-7-one

10-(3-hydroxypiperidine-1-carbonyl)-8-phenylthieno[2,3-a]quinolizin-7-one (PubChem CID 14770100) has the molecular formula C23H20N2O3S and a molecular weight of 404.49 g/mol. Its IUPAC name is 10-(3-hydroxypiperidine-1-carbonyl)-8-phenylthieno[2,3-a]quinolizin-7-one.

Molecular Properties

Compound Name10-(3-hydroxypiperidine-1-carbonyl)-8-phenylthieno[2,3-a]quinolizin-7-one
PubChem CID14770100
Molecular FormulaC23H20N2O3S
Molecular Weight404.49 g/mol
Exact Mass404.12
IUPAC Name10-(3-hydroxypiperidine-1-carbonyl)-8-phenylthieno[2,3-a]quinolizin-7-one
SMILESO=C(c1cc(-c2ccccc2)c(=O)n2ccc3ccsc3c12)N1CCCC(O)C1
InChIInChI=1S/C23H20N2O3S/c26-17-7-4-10-24(14-17)22(27)19-13-18(15-5-2-1-3-6-15)23(28)25-11-8-16-9-12-29-21(16)20(19)25/h1-3,5-6,8-9,11-13,17,26H,4,7,10,14H2
InChIKeyJYKYEJQQUFFYLC-UHFFFAOYSA-N
XLogP3.78
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-phenyl-10-(pyrrolidine-1-carbonyl)thieno[2,3-a]quinolizin-7-one
CID 19020389
8-phenyl-10-(3-propan-2-yloxypyrrolidine-1-carbonyl)thieno[2,3-a]quinolizin-7-one
CID 14770085
[(2R)-1-(7-oxo-8-phenylthieno[2,3-a]quinolizine-10-carbonyl)pyrrolidin-2-yl]methyl acetate
CID 22942350
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
(3-hydroxypyrrolidin-1-yl)-(3-phenylthiophen-2-yl)methanone
CID 62916923
[(3S)-3-hydroxypiperidin-1-yl]-(5-phenylthiophen-3-yl)methanone
CID 58110219
10-chloro-1-(3-hydroxypyrrolidine-1-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one
CID 10454840
3-[(3R)-3-hydroxypiperidine-1-carbonyl]-1-methylpyridin-2-one
CID 129470841
4-[di(propan-2-yl)amino]but-2-ynyl 7-oxo-8-phenylthieno[2,3-a]quinolizine-10-carboxylate
CID 19353666
(3-hydroxypiperidin-1-yl)-(3-phenylphenyl)methanone
CID 110868609
(3-hydroxypiperidin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 110883825

Frequently Asked Questions

What is the IUPAC name of 10-(3-hydroxypiperidine-1-carbonyl)-8-phenylthieno[2,3-a]quinolizin-7-one?
The IUPAC name of 10-(3-hydroxypiperidine-1-carbonyl)-8-phenylthieno[2,3-a]quinolizin-7-one (CID 14770100) is 10-(3-hydroxypiperidine-1-carbonyl)-8-phenylthieno[2,3-a]quinolizin-7-one.
What is the SMILES notation for 10-(3-hydroxypiperidine-1-carbonyl)-8-phenylthieno[2,3-a]quinolizin-7-one?
The canonical SMILES for 10-(3-hydroxypiperidine-1-carbonyl)-8-phenylthieno[2,3-a]quinolizin-7-one is O=C(c1cc(-c2ccccc2)c(=O)n2ccc3ccsc3c12)N1CCCC(O)C1.
What is the InChIKey of 10-(3-hydroxypiperidine-1-carbonyl)-8-phenylthieno[2,3-a]quinolizin-7-one?
The InChIKey is JYKYEJQQUFFYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3S/c26-17-7-4-10-24(14-17)22(27)19-13-18(15-5-2-1-3-6-15)23(28)25-11-8-16-9-12-29-21(16)20(19)25/h1-3,5-6,8-9,11-13,17,26H,4,7,10,14H2.
What are the key properties of 10-(3-hydroxypiperidine-1-carbonyl)-8-phenylthieno[2,3-a]quinolizin-7-one?
10-(3-hydroxypiperidine-1-carbonyl)-8-phenylthieno[2,3-a]quinolizin-7-one has a molecular weight of 404.49 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-hydroxypiperidine-1-carbonyl)-8-phenylthieno[2,3-a]quinolizin-7-one is sourced from PubChem (CID 14770100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).