N-(2-methoxyethyl)-8-(4-methoxyphenyl)-7-oxo-N-propylthieno[2,3-a]quinolizine-4-carboxamide

C25H26N2O4S — CID 57249959

IUPACN-(2-methoxyethyl)-8-(4-methoxyphenyl)-7-oxo-N-propylthieno[2,3-a]quinolizine-4-carboxamide
SMILESCCCN(CCOC)C(=O)c1cn2c(=O)c(-c3ccc(OC)cc3)ccc2c2sccc12
InChIInChI=1S/C25H26N2O4S/c1-4-12-26(13-14-30-2)24(28)21-16-27-22(23-20(21)11-15-32-23)10-9-19(25(27)29)17-5-7-18(31-3)8-6-17/h5-11,15-16H,4,12-14H2,1-3H3
InChIKeyLFNFSNHQARDRSZ-UHFFFAOYSA-N
MW450.56 g/mol
LogP4.69
Rot. Bonds8

About N-(2-methoxyethyl)-8-(4-methoxyphenyl)-7-oxo-N-propylthieno[2,3-a]quinolizine-4-carboxamide

N-(2-methoxyethyl)-8-(4-methoxyphenyl)-7-oxo-N-propylthieno[2,3-a]quinolizine-4-carboxamide (PubChem CID 57249959) has the molecular formula C25H26N2O4S and a molecular weight of 450.56 g/mol. Its IUPAC name is N-(2-methoxyethyl)-8-(4-methoxyphenyl)-7-oxo-N-propylthieno[2,3-a]quinolizine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-8-(4-methoxyphenyl)-7-oxo-N-propylthieno[2,3-a]quinolizine-4-carboxamide
PubChem CID57249959
Molecular FormulaC25H26N2O4S
Molecular Weight450.56 g/mol
Exact Mass450.16
IUPAC NameN-(2-methoxyethyl)-8-(4-methoxyphenyl)-7-oxo-N-propylthieno[2,3-a]quinolizine-4-carboxamide
SMILESCCCN(CCOC)C(=O)c1cn2c(=O)c(-c3ccc(OC)cc3)ccc2c2sccc12
InChIInChI=1S/C25H26N2O4S/c1-4-12-26(13-14-30-2)24(28)21-16-27-22(23-20(21)11-15-32-23)10-9-19(25(27)29)17-5-7-18(31-3)8-6-17/h5-11,15-16H,4,12-14H2,1-3H3
InChIKeyLFNFSNHQARDRSZ-UHFFFAOYSA-N
XLogP4.69
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-8-(4-methoxyphenyl)-7-oxo-N-propylthieno[2,3-a]quinolizine-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-8-(4-methoxyphenyl)-7-oxo-N-propylthieno[2,3-a]quinolizine-4-carboxamide (CID 57249959) is N-(2-methoxyethyl)-8-(4-methoxyphenyl)-7-oxo-N-propylthieno[2,3-a]quinolizine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-8-(4-methoxyphenyl)-7-oxo-N-propylthieno[2,3-a]quinolizine-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-8-(4-methoxyphenyl)-7-oxo-N-propylthieno[2,3-a]quinolizine-4-carboxamide is CCCN(CCOC)C(=O)c1cn2c(=O)c(-c3ccc(OC)cc3)ccc2c2sccc12.
What is the InChIKey of N-(2-methoxyethyl)-8-(4-methoxyphenyl)-7-oxo-N-propylthieno[2,3-a]quinolizine-4-carboxamide?
The InChIKey is LFNFSNHQARDRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4S/c1-4-12-26(13-14-30-2)24(28)21-16-27-22(23-20(21)11-15-32-23)10-9-19(25(27)29)17-5-7-18(31-3)8-6-17/h5-11,15-16H,4,12-14H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-8-(4-methoxyphenyl)-7-oxo-N-propylthieno[2,3-a]quinolizine-4-carboxamide?
N-(2-methoxyethyl)-8-(4-methoxyphenyl)-7-oxo-N-propylthieno[2,3-a]quinolizine-4-carboxamide has a molecular weight of 450.56 g/mol, XLogP of 4.69, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-8-(4-methoxyphenyl)-7-oxo-N-propylthieno[2,3-a]quinolizine-4-carboxamide is sourced from PubChem (CID 57249959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).