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

C25H24N2O3S — CID 14770085

IUPAC8-phenyl-10-(3-propan-2-yloxypyrrolidine-1-carbonyl)thieno[2,3-a]quinolizin-7-one
SMILESCC(C)OC1CCN(C(=O)c2cc(-c3ccccc3)c(=O)n3ccc4ccsc4c23)C1
InChIInChI=1S/C25H24N2O3S/c1-16(2)30-19-9-11-26(15-19)24(28)21-14-20(17-6-4-3-5-7-17)25(29)27-12-8-18-10-13-31-23(18)22(21)27/h3-8,10,12-14,16,19H,9,11,15H2,1-2H3
InChIKeyFWUHSPIGMQEWCZ-UHFFFAOYSA-N
MW432.55 g/mol
LogP4.82
Rot. Bonds4

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

8-phenyl-10-(3-propan-2-yloxypyrrolidine-1-carbonyl)thieno[2,3-a]quinolizin-7-one (PubChem CID 14770085) has the molecular formula C25H24N2O3S and a molecular weight of 432.55 g/mol. Its IUPAC name is 8-phenyl-10-(3-propan-2-yloxypyrrolidine-1-carbonyl)thieno[2,3-a]quinolizin-7-one.

Molecular Properties

Compound Name8-phenyl-10-(3-propan-2-yloxypyrrolidine-1-carbonyl)thieno[2,3-a]quinolizin-7-one
PubChem CID14770085
Molecular FormulaC25H24N2O3S
Molecular Weight432.55 g/mol
Exact Mass432.15
IUPAC Name8-phenyl-10-(3-propan-2-yloxypyrrolidine-1-carbonyl)thieno[2,3-a]quinolizin-7-one
SMILESCC(C)OC1CCN(C(=O)c2cc(-c3ccccc3)c(=O)n3ccc4ccsc4c23)C1
InChIInChI=1S/C25H24N2O3S/c1-16(2)30-19-9-11-26(15-19)24(28)21-14-20(17-6-4-3-5-7-17)25(29)27-12-8-18-10-13-31-23(18)22(21)27/h3-8,10,12-14,16,19H,9,11,15H2,1-2H3
InChIKeyFWUHSPIGMQEWCZ-UHFFFAOYSA-N
XLogP4.82
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

10-(3-hydroxypiperidine-1-carbonyl)-8-phenylthieno[2,3-a]quinolizin-7-one
CID 14770100
8-phenyl-10-(pyrrolidine-1-carbonyl)thieno[2,3-a]quinolizin-7-one
CID 19020389
[(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
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10-chloro-1-(3-methoxyazetidine-1-carbonyl)-3-phenylbenzo[a]quinolizin-4-one
CID 14666749
13-(3-methoxyazetidine-1-carbonyl)-11-phenyl-3-thia-8,9-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,11-tetraen-10-one
CID 19913666
(1-benzylcyclopropyl)-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]methanone
CID 136583063
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CID 14770142
(3-hydroxypyrrolidin-1-yl)-(3-phenylthiophen-2-yl)methanone
CID 62916923
1-[2-[(3R)-3-(3-methylbutoxy)pyrrolidine-1-carbonyl]phenyl]ethanone
CID 96784337
[4-(1-hydroxyethyl)piperidin-1-yl]-(2-phenylphenyl)methanone
CID 111429801
10-chloro-1-(3-hydroxypyrrolidine-1-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one
CID 10454840

Frequently Asked Questions

What is the IUPAC name of 8-phenyl-10-(3-propan-2-yloxypyrrolidine-1-carbonyl)thieno[2,3-a]quinolizin-7-one?
The IUPAC name of 8-phenyl-10-(3-propan-2-yloxypyrrolidine-1-carbonyl)thieno[2,3-a]quinolizin-7-one (CID 14770085) is 8-phenyl-10-(3-propan-2-yloxypyrrolidine-1-carbonyl)thieno[2,3-a]quinolizin-7-one.
What is the SMILES notation for 8-phenyl-10-(3-propan-2-yloxypyrrolidine-1-carbonyl)thieno[2,3-a]quinolizin-7-one?
The canonical SMILES for 8-phenyl-10-(3-propan-2-yloxypyrrolidine-1-carbonyl)thieno[2,3-a]quinolizin-7-one is CC(C)OC1CCN(C(=O)c2cc(-c3ccccc3)c(=O)n3ccc4ccsc4c23)C1.
What is the InChIKey of 8-phenyl-10-(3-propan-2-yloxypyrrolidine-1-carbonyl)thieno[2,3-a]quinolizin-7-one?
The InChIKey is FWUHSPIGMQEWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3S/c1-16(2)30-19-9-11-26(15-19)24(28)21-14-20(17-6-4-3-5-7-17)25(29)27-12-8-18-10-13-31-23(18)22(21)27/h3-8,10,12-14,16,19H,9,11,15H2,1-2H3.
What are the key properties of 8-phenyl-10-(3-propan-2-yloxypyrrolidine-1-carbonyl)thieno[2,3-a]quinolizin-7-one?
8-phenyl-10-(3-propan-2-yloxypyrrolidine-1-carbonyl)thieno[2,3-a]quinolizin-7-one has a molecular weight of 432.55 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-10-(3-propan-2-yloxypyrrolidine-1-carbonyl)thieno[2,3-a]quinolizin-7-one is sourced from PubChem (CID 14770085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).