2-(7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizin-10-yl)ethylcarbamic acid

C20H18N2O3S — CID 67828341

IUPAC2-(7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizin-10-yl)ethylcarbamic acid
SMILESO=C(O)NCCc1cc(-c2ccccc2)c(=O)n2c1-c1sccc1CC2
InChIInChI=1S/C20H18N2O3S/c23-19-16(13-4-2-1-3-5-13)12-15(6-9-21-20(24)25)17-18-14(8-11-26-18)7-10-22(17)19/h1-5,8,11-12,21H,6-7,9-10H2,(H,24,25)
InChIKeyNRYGBPBZYWOORZ-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.61
Rot. Bonds4

About 2-(7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizin-10-yl)ethylcarbamic acid

2-(7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizin-10-yl)ethylcarbamic acid (PubChem CID 67828341) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is 2-(7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizin-10-yl)ethylcarbamic acid.

Molecular Properties

Compound Name2-(7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizin-10-yl)ethylcarbamic acid
PubChem CID67828341
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC Name2-(7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizin-10-yl)ethylcarbamic acid
SMILESO=C(O)NCCc1cc(-c2ccccc2)c(=O)n2c1-c1sccc1CC2
InChIInChI=1S/C20H18N2O3S/c23-19-16(13-4-2-1-3-5-13)12-15(6-9-21-20(24)25)17-18-14(8-11-26-18)7-10-22(17)19/h1-5,8,11-12,21H,6-7,9-10H2,(H,24,25)
InChIKeyNRYGBPBZYWOORZ-UHFFFAOYSA-N
XLogP3.61
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizin-10-yl)ethylcarbamic acid?
The IUPAC name of 2-(7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizin-10-yl)ethylcarbamic acid (CID 67828341) is 2-(7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizin-10-yl)ethylcarbamic acid.
What is the SMILES notation for 2-(7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizin-10-yl)ethylcarbamic acid?
The canonical SMILES for 2-(7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizin-10-yl)ethylcarbamic acid is O=C(O)NCCc1cc(-c2ccccc2)c(=O)n2c1-c1sccc1CC2.
What is the InChIKey of 2-(7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizin-10-yl)ethylcarbamic acid?
The InChIKey is NRYGBPBZYWOORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c23-19-16(13-4-2-1-3-5-13)12-15(6-9-21-20(24)25)17-18-14(8-11-26-18)7-10-22(17)19/h1-5,8,11-12,21H,6-7,9-10H2,(H,24,25).
What are the key properties of 2-(7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizin-10-yl)ethylcarbamic acid?
2-(7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizin-10-yl)ethylcarbamic acid has a molecular weight of 366.44 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizin-10-yl)ethylcarbamic acid is sourced from PubChem (CID 67828341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).