N-benzyl-N-(2-methoxyethyl)-7-oxo-8-(4-phenoxyphenyl)thieno[2,3-a]quinolizine-10-carboxamide

C34H28N2O4S — CID 56639286

IUPACN-benzyl-N-(2-methoxyethyl)-7-oxo-8-(4-phenoxyphenyl)thieno[2,3-a]quinolizine-10-carboxamide
SMILESCOCCN(Cc1ccccc1)C(=O)c1cc(-c2ccc(Oc3ccccc3)cc2)c(=O)n2ccc3ccsc3c12
InChIInChI=1S/C34H28N2O4S/c1-39-20-19-35(23-24-8-4-2-5-9-24)33(37)30-22-29(34(38)36-18-16-26-17-21-41-32(26)31(30)36)25-12-14-28(15-13-25)40-27-10-6-3-7-11-27/h2-18,21-22H,19-20,23H2,1H3
InChIKeyKMISKBOUVTWSTN-UHFFFAOYSA-N
MW560.68 g/mol
LogP7.26
Rot. Bonds9

About N-benzyl-N-(2-methoxyethyl)-7-oxo-8-(4-phenoxyphenyl)thieno[2,3-a]quinolizine-10-carboxamide

N-benzyl-N-(2-methoxyethyl)-7-oxo-8-(4-phenoxyphenyl)thieno[2,3-a]quinolizine-10-carboxamide (PubChem CID 56639286) has the molecular formula C34H28N2O4S and a molecular weight of 560.68 g/mol. Its IUPAC name is N-benzyl-N-(2-methoxyethyl)-7-oxo-8-(4-phenoxyphenyl)thieno[2,3-a]quinolizine-10-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(2-methoxyethyl)-7-oxo-8-(4-phenoxyphenyl)thieno[2,3-a]quinolizine-10-carboxamide
PubChem CID56639286
Molecular FormulaC34H28N2O4S
Molecular Weight560.68 g/mol
Exact Mass560.18
IUPAC NameN-benzyl-N-(2-methoxyethyl)-7-oxo-8-(4-phenoxyphenyl)thieno[2,3-a]quinolizine-10-carboxamide
SMILESCOCCN(Cc1ccccc1)C(=O)c1cc(-c2ccc(Oc3ccccc3)cc2)c(=O)n2ccc3ccsc3c12
InChIInChI=1S/C34H28N2O4S/c1-39-20-19-35(23-24-8-4-2-5-9-24)33(37)30-22-29(34(38)36-18-16-26-17-21-41-32(26)31(30)36)25-12-14-28(15-13-25)40-27-10-6-3-7-11-27/h2-18,21-22H,19-20,23H2,1H3
InChIKeyKMISKBOUVTWSTN-UHFFFAOYSA-N
XLogP7.26
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.68
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-benzyl-N-(2-methoxyethyl)-7-oxo-8-(4-phenoxyphenyl)thieno[2,3-a]quinolizine-10-carboxamide with MolForge

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Related Compounds

N-(2-methoxyethyl)-7-oxo-8-(4-phenylmethoxyphenyl)-N-(pyridin-3-ylmethyl)thieno[2,3-a]quinolizine-10-carboxamide
CID 56631879
N-benzyl-N-(2-methoxyethyl)-8-(2-methoxyphenyl)-7-oxothieno[2,3-a]quinolizine-10-carboxamide
CID 56636249
N-(2-methoxyethyl)-8-(3-methoxyphenyl)-7-oxo-N-(thiophen-2-ylmethyl)thieno[2,3-a]quinolizine-10-carboxamide
CID 56612145
N-(3-methoxypropyl)-7-oxo-8-phenylthieno[2,3-a]quinolizine-10-carboxamide
CID 14666711
methyl 7-oxo-8-(4-phenylphenyl)thieno[2,3-a]quinolizine-10-carboxylate
CID 19353618
8-(4-methylphenyl)-7-oxothieno[2,3-a]quinolizine-10-carboxylic acid
CID 19353655
4-[di(propan-2-yl)amino]but-2-ynyl 7-oxo-8-phenylthieno[2,3-a]quinolizine-10-carboxylate
CID 19353666
2-morpholin-4-ylethyl 7-oxo-8-phenylthieno[2,3-a]quinolizine-10-carboxylate
CID 19353672
10-(imidazole-1-carbonyl)-8-phenylthieno[2,3-a]quinolizin-7-one
CID 19353621
N-(cyclopropylmethyl)-N-(2-methoxyethyl)-7-oxo-8-(4-phenylmethoxyphenyl)thieno[2,3-a]quinolizine-4-carboxamide
CID 57320423
N-(3-methoxypropyl)-10-oxo-11-phenyl-3-thia-8,9-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,7,11-pentaene-13-carboxamide
CID 19898584
N-(2-methoxyethyl)-8-(4-methoxyphenyl)-7-oxo-N-propylthieno[2,3-a]quinolizine-4-carboxamide
CID 57249959

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-methoxyethyl)-7-oxo-8-(4-phenoxyphenyl)thieno[2,3-a]quinolizine-10-carboxamide?
The IUPAC name of N-benzyl-N-(2-methoxyethyl)-7-oxo-8-(4-phenoxyphenyl)thieno[2,3-a]quinolizine-10-carboxamide (CID 56639286) is N-benzyl-N-(2-methoxyethyl)-7-oxo-8-(4-phenoxyphenyl)thieno[2,3-a]quinolizine-10-carboxamide.
What is the SMILES notation for N-benzyl-N-(2-methoxyethyl)-7-oxo-8-(4-phenoxyphenyl)thieno[2,3-a]quinolizine-10-carboxamide?
The canonical SMILES for N-benzyl-N-(2-methoxyethyl)-7-oxo-8-(4-phenoxyphenyl)thieno[2,3-a]quinolizine-10-carboxamide is COCCN(Cc1ccccc1)C(=O)c1cc(-c2ccc(Oc3ccccc3)cc2)c(=O)n2ccc3ccsc3c12.
What is the InChIKey of N-benzyl-N-(2-methoxyethyl)-7-oxo-8-(4-phenoxyphenyl)thieno[2,3-a]quinolizine-10-carboxamide?
The InChIKey is KMISKBOUVTWSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28N2O4S/c1-39-20-19-35(23-24-8-4-2-5-9-24)33(37)30-22-29(34(38)36-18-16-26-17-21-41-32(26)31(30)36)25-12-14-28(15-13-25)40-27-10-6-3-7-11-27/h2-18,21-22H,19-20,23H2,1H3.
What are the key properties of N-benzyl-N-(2-methoxyethyl)-7-oxo-8-(4-phenoxyphenyl)thieno[2,3-a]quinolizine-10-carboxamide?
N-benzyl-N-(2-methoxyethyl)-7-oxo-8-(4-phenoxyphenyl)thieno[2,3-a]quinolizine-10-carboxamide has a molecular weight of 560.68 g/mol, XLogP of 7.26, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-methoxyethyl)-7-oxo-8-(4-phenoxyphenyl)thieno[2,3-a]quinolizine-10-carboxamide is sourced from PubChem (CID 56639286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).